![C30H28N2O7 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2 - [[bis (4-metoxy fenil) fenilmethoxy] metil] -2,3,3a, 9a-tetrahydro-3-hydroxy-, (2r, 3r, 3AS, 9ar) (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2 - [[bis (4-metoxy fenil) fenilmethoxy] metil] -2,3,3a, 9a-tetrahydro-3-hydroxy-, (2r, 3r, 3AS, 9ar) (9CI, ACI) immaġni dehru](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2 - [[bis (4-metoxy fenil) fenilmethoxy] metil] -2,3,3a, 9a-tetrahydro-3-hydroxy-, (2r, 3r, 3AS, 9ar) (9CI, ACI)
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 528.55 | - |
| Punt ta 'tidwib (sperimentali) | 129.5-130 ° C. | - |
| Punt tat-togħlija (imbassar) | 688.2 ± 65.0 ° C. | Agħfas: 760 Torr |
| Densità (prevista) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr |
| PKA (imbassar) | 12.51 ± 0.40 | L-iktar temp aċiduż: 25 ° C |
Tbissem kanoniku O = C1N = C2OC3C (O) C (OC3N2C = C1) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6
Smiles isomeric C (oc [c @ h] 1o [c @@] 2 ([c @@] ([c @@ h] 1o) (oc = 3n2c = cc (= o) n3) [h]) [h]) [h]) (c4 = cc = c (oc) c = c4) (c5) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c30h28n2o7 / c1-35-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19-19,21-10-14-23 (36-2) 15-11-21) 37-18-24-26 (34) 28 (38-24) 32-17- 16-25 (33) 31-29 (32) 39-27 / h3-17,24,26-28,34H, 18H2,1-2H3 / T24-, 26-, 27 +, 27 +, 28- / m1 / s1
INCHI Key
Oeirlwhcgaicdw-aogfthlwsa-n
2 ismijiet oħra għal din is-sustanza
(2r, 3r, 3as, 9ar) -2 - [[bis (4-metoxyphenyl) fenilmethoxy] metil] -2,3,3a, 9a-tetrahydro-3-hydroxy-6H-furo [2 ′, 3 ′: 4,5] oxazolo [3,2- 6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2 - [[bis (4-metoxyphenyl) fenilmethoxy] metil] -2,3,3a, 9a-, 9a-
Tetrahydro-3-hydroxy-, [2r- (2α, 3β, 3aβ, 9aβ)] - (ZCI)
| Proprjetajiet disponibbli |
| Termali |
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt ta 'tidwib | 129.5-130 ° C. | (1) CAS | |
(1) Szlenkier, Maurycy; Nukleosidi, nukleotidi u aċidi nuklejiċi, (2016), 35 (8), 410-425, caplus
| Spettri disponibbli |
| 1H NMR |
| 13C NMR |
| IR |
| Massa |
Proprjetajiet imbassra
| Proprjetajiet disponibbli |
| Bijoloġiku |
| Kimika |
| Densità |
| Lipinski |
| Struttura relatata |
| Termali |
Bijoloġiku
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 1360 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1360 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1360 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1360 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1360 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1360 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1360 | pH 7; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 1360 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1360 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1350 | 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)
Kimika
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 6080 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 6080 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 6070 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 6060 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.42 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.424 ± 0.618 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 5.8 x 10-4 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-4 g / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 1.1 x 10-6 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-6 mol / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 528.55 | ||
| PKA | 12.51 ± 0.40 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | -4.70 ± 0.60 | L-iktar temp bażiku: 25 ° C | (1) ACD |
| Pressjoni tal-fwar | 6.91 x 10-20 Torr | Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densità
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 389.8 ± 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)
Lipinski
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li jduru liberament | 9 | (1) ACD | |
| Proprjetà | Valur | Kundizzjoni | Sors |
| H aċċettaturi | 9 | (1) ACD | |
| H donaturi | 1 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 10 | (1) ACD | |
| logp | 4.424 ± 0.618 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 528.55 |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Erja tal-wiċċ polari | 99.1 A2 | (1) ACD | |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-togħlija | 688.2 ± 65.0 ° C. | Agħfas: 760 Torr | (1) ACD |
| Entalpija tal-vaporizzazzjoni | 105.96 ± 3.0 kJ / mol | Agħfas: 760 Torr | (1) ACD |
| Punt flash | 370.0 ± 34.3 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spettri disponibbli
1H NMR
13C NMR
![C50H60N5O10P Cytidine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -O- (2-metoxyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methyletiliku) fosforamadite] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![C38H49NO7 1- Aċidu pirrolidinatodekanoiku, 2- [[bis (4-metoxyphenyl) fenilm etoxy] metil] -4-hydroxy-λ-oxo-, (2s, 4R) - (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C39H37N5O7 adenosine, N-Benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
