![C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-metoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O- (2-metoxyethyl) -5-methyl- (9CI, ACI) H335](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-metoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315, H315
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 721.80 | - |
| Punt ta 'tidwib (sperimentali) | 107-110 ° C. | - |
| Densità (prevista) | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr |
| PKA (imbassar) | 8.60 ± 0.40 | L-iktar temp aċiduż: 25 ° C |
Tbissem kanoniku O = C1n = C (NC (= O) C = 2C = CC = CC2) C (= CN1C3OC (COC (C = 4C = CC = CC4 = CC4) (C5 = CC = C (OC) C = C5) C6) C6 = CC = C (OC) C = C6) C (O) C3OCCOC) C.
Tbissim isomeriku
C (oc [c @ h] 1o [c @ h] ([c @ h] (occoc) [c @@ h] 1o) n2c (= o) n = c (nc (= o) c3 = cc = cc = cc = c3) c (c) = c2) (c4 = cc = c (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
INCHI = 1S / C41H43N3O9 / C1-27-25-44 (40 (47) 43-37 (27) 42-38 (46) 28-11-7-5-5-8-12-28) 39-36 (51-24-23-48-2) 35 (45) 34 (53-39) 26-52-41 (29-13
-9-6-10-14-29,30-15-19-32 (49-3) 20-16-30) 31-17-21-33 (50-4) 22-18-31 / H5-22,25,34-36,39,45H, 23-24,26H2,1-4H3, (H, 42,43,46,47) / T34-, 3 5-, 36-, 39- / M1 / S1
INCHI Key
Byscluaikfefah-lzurgkrnsa-n
23 ismijiet oħra għal din is-sustanza
N-benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O- (2-metoxyethyl) -5-methylcytidine (ACI); 10: PN: WO03084478 Paġna: 57 RNA mitluba; 12: PN: US20030170636 Paġna: 17 ddikjarat R Na; 13: PN: US20030212017 Paġna: 19 mitluba R Na; 14: PN: US20030
Paġna 211606: 19 ddikjarat R Na; 15: PN: US20040005569 Paġna: 22 ddikjara R NA; 16: PN: US20040006030 Paġna: 22 ddikjara R NA; 16: PN: US20040014048 Paġna: 20 mitluba R Na; 17: PN: US20030171313 Paġna: 9 mitluba R Na; 17: PN: US20040005565 Paġna: 17-22 RNA mitluba; 17: PN: US20040005570 Paġna: 20 mitluba R Na; 17: PN: US20040014047 Paġna: 20 mitluba R Na; 17: PN: US20040 014050 Paġna: 20 mitluba R Na; 18: PN: US20030198965 Paġna: 19 mitluba R Na; 18: PN: US20040014699 Paġna: 20 mitluba R Na; 19: PN: US20040006029 Paġna: 23 ddikjarat R Na; 19: PN: WO03106645 Paġna: 71 mitluba R Na; 59: PN: US20030166592 Paġna: 15 RNA mitluba; 6: PN: WO2005006958 Paġna: 62 ddikjara R NA; 83: PN: US20040171566 Paġna: 18 ddikjarat R Na; 8: PN: WO2005007825
Paġna: 62 ddikjarat R Na; 90: PN: US20040005707 Paġna: 20 mitluba R Na; N4-benzoyl-2′-o-metoxyethyl-5′-o-dimethoxytrityl-5-
Methylcytidine
| Proprjetajiet disponibbli |
| Termali |
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt ta 'tidwib | 107-110 ° C. | (1) CAS | |
(1) Penjarla, Srishylam; Nukleosidi, nukleotidi u aċidi nuklejiċi, (2018), 37 (4), 232-247, caplus
Spettri disponibbli
1H NMR
13C NMR
| Proprjetajiet disponibbli |
| Bijoloġiku |
| Kimika |
| Densità |
| Lipinski |
| Struttura relatata |
Bijoloġiku
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 291 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 644 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 3690 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 15600 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 23700 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 24800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 23300 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 14100 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 3010 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 558 | 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 | 569 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 1260 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 7210 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 30400 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 46300 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 48500 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 45500 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 27500 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 5890 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 1090 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.16 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.50 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 5.26 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 5.88 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.07 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.09 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.06 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 5.84 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 5.17 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.44 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 6.093 ± 0.720 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 1.3 x 10-4 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.011 g / L. | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.0 x 10-3 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 8.7 x 10-4 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.1 x 10-4 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità tal-Massa | 1.4 x 10-4 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.3 x 10-4 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.4 x 10-4 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.3 x 10-4 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.1 x 10-3 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-3 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.4 x 10-4 g / l | PH ta 'ilma mhux imballat 6.97; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 1.8 x 10-7 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.5 x 10-5 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 6.9 x 10-6 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.2 x 10-6 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.9 x 10-7 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.9 x 10-7 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.8 x 10-7 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.9 x 10-7 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.2 x 10-7 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.5 x 10-6 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.0 x 10-6 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.9 x 10-7 mol / l | PH ta 'ilma mhux imballat 6.97; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 721.80 | ||
| PKA | 8.60 ± 0.40 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | 3.87 ± 0.20 | L-iktar temp bażiku: 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 | 1.26 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 572.5 ± 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 | 15 | (1) ACD | |
| Proprjetà | Valur | Kundizzjoni | Sors |
| H aċċettaturi | 12 | (1) ACD | |
| H donaturi | 2 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 14 | (1) ACD | |
| logp | 6.093 ± 0.720 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 721.80 |
(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 | 137 A2 | (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
| Kodiċi | Dikjarazzjoni tal-Periklu | Sors |
| H335 | Jista 'jikkawża irritazzjoni respiratorja | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
| H319 | Tikkawża irritazzjoni serja fl-għajnejn | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
| H315 | Jikkawża irritazzjoni tal-ġilda | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
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