![C9H10N2O5 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) -, (2R, 3 R, 3AS, 9AR) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C9H10N2O5 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) -, (2R, 3 r, 3as, 9ar) - (9ci,](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) -, (2R, 3 R, 3AS, 9AR) - (9CI, ACI)
Numru tar-Reġistru CAS
3736-77-4
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 226.19 | - |
| Punt ta 'tidwib (sperimentali) | 234-235 ° C. | - |
| Punt tat-togħlija (imbassar) | 456.3 ± 55.0 ° C. | Agħfas: 760 Torr |
| Densità (prevista) | 2.01 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr |
| PKA (imbassar) | 12.55 ± 0.40 | L-iktar temp aċiduż: 25 ° C |
Tbissim kanoniku
O = c1n = c2oc3c (o) c (oc3n2c = c1) ko
Tbissim isomeriku
O [c @ h] 1 [c @] 2 ([c @] (n3c (o2) = nc (= o) c = c3) (o [c @@ h] 1co) [h]) [h]
Inchi
INCHI = 1S / C9H10N2O5 / C12-3-4-6 (14) 7-8 (15-4) 11-2-1-5 (13) 10-9 (11) 16-7 / H1-2,4,4,6-8,12,14H, 3H2 / T4-, 6-, 7 +, 8- / m1 / s1
INCHI Key
Uugitdaswnoagg-ccxzuqusa-n
13 Ismijiet oħra għal din is-sustanza
(2r, 3 r, 3as, 9ar) -2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -6H-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one (ACI); 6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) - (6CI, 7CI); 6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -, [2r- (2α, 3β, 3aβ, 9aβ)] -; 6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a]
pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -, stereoisomer (8CI); 2,2 ′ -anhydro (1- β -D-arabinofuranosyl) uracil; 2,2 ′ -Anhydro-1- β -D-arabino-furanosiluracil; 2,2 ′ -Anhydro-N1- (β -D-arabinofuranosyl) uracil; 2,2 ′ -anhydrouridine; 2,2 ′ -o-cyclouridine; NSC 157148; O2,2 ′ -anhydrouridine; O2,2 ′ -Cyclouridine; β -D-2 ′, 2-o-cycloarabinouridine
Proprjetajiet disponibbli
Ottiku u tifrix
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Qawwa rotatorja ottika | -19 deg | Solvent: metanol; λ: 589.3 nm; Temp: 26 ° C. | (1) CAS |
(1) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, Caplus
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt ta 'tidwib | 250-253 ° C. | (1) CAS | |
| Punt ta 'tidwib | 246 ° C. | Solvent: etanol; Isopropanol | (2) CAS |
| Punt ta 'tidwib | 242-245 ° C. | (3) CAS | |
| Punt ta 'tidwib | 242-243 ° C. | (4) CAS | |
| Punt ta 'tidwib | 236-238 ° C (DECOMP) | (5) CAS | |
| Punt ta 'tidwib | 234 ° C. | (6) CAS | |
| Punt ta 'tidwib | 234-235 ° C. | (7) CAS | |
| Punt ta 'tidwib | 233-234 ° C (DECOMP) | Solvent: Metanol | (8) CAS |
| Punt ta 'tidwib | Ara test sħiħ | (9) CAS |
(1) Lin, Kun-i.; Il-Ġurnal tas-Soċjetà Kimika Ċiniża (Taipei, Tajwan), (2007), 54 (2), 563-568, Caplus
(2) Takatsuki, Ken-ichi; Nukleosidi, nukleotidi u aċidi nuklejiċi, (2006), 25 (7), 719-734, caplus
(3) Wnuk, Stanislaw F.; Journal of Organic Chemistry, (2002), 67 (6), 1816-1819, Caplus
(4) Szlenkier, Maurycy; Nukleosidi, nukleotidi u aċidi nuklejiċi, (2016), 35 (8), 410-425, caplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, Caplus
(6) Krizmanic, Irena; Tetrahedron, (2003), 59 (23), 4047-4057, Caplus
(7) Brown, DM; Journal of the Chemical Society, (1958), 3035-8, Caplus
(8) li, heting; Komunikazzjonijiet Sintetiċi, (2006), 36 (14), 1933-1940, Caplus
(9) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, Caplus
Spettri disponibbli
1 H NMR
13 C NMR
IR
Spettri disponibbli
Massa
Proprjetajiet disponibbli
Bijoloġiku
Kimika
Densità
Lipinski
Struttura relatata
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 7.66 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 7.66 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 7.66 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 7.66 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 7.66 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 7.66 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 7.66 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 7.66 | pH 8; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 7.66 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 7.64 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | -0.906 ± 0.555 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 4.7 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.7 g / l | PH ta 'ilma mhux imballat 6.91; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 0.021 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità molari | 0.021 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 0.021 mol / l | PH ta 'ilma mhux imballat 6.91; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 226.19 | ||
| PKA | 12.55 ± 0.40 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | -4.68 ± 0.60 | L-iktar temp bażiku: 25 ° C | (1) ACD |
| Pressjoni tal-fwar | 3.04 x 10-10 Torr | Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 2.01 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 112.3 ± 7.0 cm3 / mol | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li jduru liberament | 3 | (1) ACD | |
| H aċċettaturi | 7 | (1) ACD | |
| H donaturi | 2 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 9 | (1) ACD | |
| logp | -0.906 ± 0.555 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 226.19 |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Sors tal-kundizzjoni |
| Erja tal-wiċċ polari | 91.6 A2 | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-togħlija | 456.3 ± 55.0 ° C. | Agħfas: 760 Torr | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Entalpija tal-vaporizzazzjoni | 82.62 ± 6.0 kJ / mol | Agħfas: 760 Torr | (1) ACD |
| Punt flash | 229.8 ± 31.5 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spettri disponibbli
1 H NMR
13 C NMR
| Kodiċi ta 'Dikjarazzjoni ta' Periklu Sors | |
| H302 ta 'ħsara jekk tinbela' | Klassifikazzjoni u Tikkettar tal-Aġenzija Kimika Ewropea (ECHA) Inventarju - Klassifikazzjoni u Tikkettar Notifikat - L-iktar Notifiki Komuni, Aġenzija Kimika Ewropea (ECHA) Inventarju tal-Klassifikazzjoni u t-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
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