![C34H39N3O8 cytidin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O- (2-metox yetyl) -5-metyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 cytidin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O- (2-metox yetyl) -5-metyl- (9ci, ACI) presenterade bild](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 cytidin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O- (2-metox yetyl) -5-metyl- (9CI, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 617.69 | - |
| Kokpunkt (förutsagt) | 762,6 ± 70,0 ° C | Press: 760 Torr |
| Densitet (förutspådd) | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 13,31 ± 0,70 | Mest sura temp: 25 ° C |
Kanoniska leenden o = c1n = c (n) c (= cn1c2oc (coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) c (o) c2occoc) c) c = c4)
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
Tum
Inchi = 1s/c34H39N3O8/C1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-8-6-5-5-7-9-9-9.24-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-10-106 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25/H5-17,20,28-30,32,38H, 18-19,21h2,1-4H3, (H2,35,36,39)/T28-, 29-, 30-, 32-/m1/m1/s1/s1/s
Inchi -nyckel
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24 andra namn för detta ämne
5'-O-O-[BIS (4-metoxifenyl) fenylmetyl] -2'-O- (2-metoxietyl) -5-metylcytidin (ACI); 11: PN: US20030170636 Sida: 17 hävdade RNA; 12: PN: US20030211606 Sida: 18 Krav R NA; 12: PN: US20030212017 Sida: 19 Krav R NA; 14: PN: US20040005569 PAG E: 21 hävdade r na; 15: PN: US20040005565 Sida: 17- 22 hävdade RNA; 15: PN: US20040005570 Sida: 19 Krav R NA; 15: PN: U S20040006030 Sida: 22 Krav R NA; 15: PN: US20040014048 Sida: 19 Krav R NA; 16: PN: US20030171313 Sida: 9 Kravade RNA; 16: PN: US20030198965 Sida: 19 Krav R NA; 16: PN: US20040014047 Sida: 19 Krav R NA; 16: PN: US20040014049 Sida:
19 hävdade RNA; 17: PN: US20040014051 Sida: 21 Krav R NA; 17: PN: US20040014699 Sida: 19 Krav R NA; 17: PN: W
O03106645 Sida: 69 hävdade r na; 18: PN: US20040006029 Sida: 22 Krav R NA; 2'-O-metoxietyl-5'-O-dimetoxytrityl-5-metylcytidin; 58: PN: US20030166592 Sida: 15 hävdade r na; 5: PN: WO2005006958 Sida: 61 hävdade r na; 7: PN: WO20050 07825 Sida: 61 hävdade r na; 82: PN: US20040171566 Sida: 18 Krav R NA; 89: PN: US20040005707 Sida: 19 Krav R NA; 9: PN: WO03084478 Sida: 56 Påstås r na
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
| Termisk |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 1.56 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.99 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 6.19 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 38.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 116 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 146 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 150 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 151 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 151 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 151 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| Koc | 13.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 16.6 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 51.8 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 318 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 966 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1220 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1260 | pH 7; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Koc | 1260 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 1260 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1260 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 1.18 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 1.29 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | 1,78 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 2.57 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 3.05 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 3.16 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.17 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | 3.169 ± 0,598 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 5.2 x 10-3 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,51 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,40 g/L | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,13 g/L | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,020 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 6,8 x 10-3 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5,4 x 10-3 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5,3 x 10-3 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5.2 x 10-3 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5.2 x 10-3 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5.2 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5,3 x 10-3 g/l | Obufferat vatten pH 7,05; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 8.4 x 10-6 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8.2 x 10-4 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 6.4 x 10-4 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,1 x 10-4 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,3 x 10-5 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,1 x 10-5 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 8,7 x 10-6 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8,5 x 10-6 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8.4 x 10-6 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8.4 x 10-6 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8.4 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8,5 x 10-6 mol/l | Obufferat vatten pH 7,05; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 617.69 | ||
| pka | 13,31 ± 0,70 | Mest sura temp: 25 ° C | (1) ACD |
| pka | 4,58 ± 0,10 | Mest grundläggande temp: 25 ° C | (1) ACD |
| Ångtryck | 1,89 x 10-24 Torr | Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 483,8 ± 7,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 14 | (1) ACD | |
| H acceptorer | 11 | (1) ACD | |
| H givare | 3 | (1) ACD | |
| H givare/acceptor summa | 14 | (1) ACD | |
| inloggning | 3.169 ± 0,598 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 617.69 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 134 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Termisk
| Egendom | Värde | Skick | Källa |
| Kokpunkt | 762,6 ± 70,0 ° C | Press: 760 Torr | (1) ACD |
| Entalpi av förångning | 116,53 ± 3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flashpoint | 415,0 ± 35,7 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
13C NMR
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