![C50H60N5O10P cytidin, N-bensoyl-5 ′ -o- [Bis (4-metoxyfenyl) fenylmetyl] -2 ′ -o- (2-metoxietyl)-5-metyl-, 3 ′-[2-cyanoetyl N, N-Bis (1-metyletyl) fosforamidit] (akhosforamidit] (akhosforamidit] (akhosforamidit]](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P cytidin, N-bensoyl-5 '-o- [Bis (4-metoxyfenyl) fenylmetyl] -2' -o- (2-metoxietyl)-5-metyl-, 3 '-[2-cy-cyanoetyl N, N-Bis (1-methetyl) fosforamidit] (akhosforamidit] (aci) (aci) (aci) (aci-) (Aci-) (Aci-).](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P cytidin, N-bensoyl-5 ′ -o- [Bis (4-metoxyfenyl) fenylmetyl] -2 ′ -o- (2-metoxietyl)-5-metyl-, 3 ′-[2-cyanoetyl N, N-Bis (1-metyletyl) fosforamidit] (akhosforamidit] (akhosforamidit] (akhosforamidit]
Cas registernummer
163759-94-2
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 922.01 | - |
| PKA (förutspådd) | 8.59 ± 0,40 | Mest sura temp: 25 ° C |
Kanoniska leenden
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C
Isomer leenden
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (occoc) [c @@ h] (o1) n2c (= o) n = c (nc (= o) c3 = cc = cc = c3) c (c) = c2) = C (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Tum
Tum = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13-10-14-19-38,39-20-24-41 (59-7) 25-21-3-39 )40-22-26-42(60-8)27-23-40)64-48(45(44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/h9-14,16-27,32,34- 35,43-45,48H, 15,29-31,33H2,1-8H3, (H, 52,53,56,57)/T43-, 44-, 45-, 48-, 66?/M1/S1
Inchi -nyckel
Fligvmliidvdsn-gicdfoiusa-n
26 andra namn för detta ämne
Cytidin,N-Benzoyl -5 ′ -O-[Bis (4-metoxifenyl) fenylmetyl] -2 ′-O-(2-metoxietyl)-5-metyl-, 3 '-[2-cyanoetylbis (1-metyletyl) fosforamidit] (9CI); 12: PN: WO03084478 Sida: 57 hävdade DNA; 14: PN: US20030170636 Sida: 17 Krav DNA; 15: PN: U
S20030211606 Sida: 19 hävdade DNA; 15: PN: US20030212017 Sida: 19 Krav DNA; 16: PN: US20040005569 Sida: 22 Krav DNA; 17: PN: US20040006030 Sida: 23 hävdade DNA; 17: PN: US20040014049 SIDA: 20 Påstått DNA; 18: PN: US20040014047 PAG E: 20 hävdat DNA; 18: PN: US20040014048 SIDA: 20 Påstått DNA; 18: PN: US20040014050 SIDA: 20 Påstått DNA; 19: PN: U
S20030171313 Sida: 9 krävde DNA; 19: PN: US20030198965 Sida: 20 Krav DNA; 19: PN: US20040005565 Sida: 17- 22 hävdade DNA; 19: PN: US20040005570 Sida: 20 Krav DNA; 19: PN: US20040014051 Sida: 22 Krav DNA; 20: PN: US20040014699 PAG
E: 20 hävdade DNA; 21: PN: US20040006029 Sida: 23 hävdade DNA; 21: PN: WO03106645 Sida: 72 Krav DNA; 61: PN: US20030
166592 Sida: 15 hävdade DNA; 7: PN: WO2005006958 Sida: 62 hävdade DNA; 84: PN: US20040171566 Sida: 18 hävdade DNA; 92:
PN: US20040005707 Sida: 20 hävdat DNA; 9: PN: WO2005007825 Sida: 62 Krav DNA;N4-bensoyl-2 ′-O-metoxietyl-5-O-DimetoxytrityL-5-metylcytidin-3 '-fosforamidit;N4-bensoyl-2 ′-O-metoxietyl -5 ′ -O-Dimetoxytrityl-5-metylcytidin-3 ′-amidit
Spektra tillgängligt
13 C NMR
Hetero nmr
Egenskaper tillgängliga
Biologisk
Kemisk
Lipinski
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 171 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1250 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 47600 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 6.44 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 7,79 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,63 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 30800 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Skick | Källa |
| Koc | 106 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 773 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 29500 | pH 3; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Koc | 3,99 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 8.02 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 8,70 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 8.16 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 4,83 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 1,01 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 19100 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.48 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 5.34 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | 6.92 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 8.06 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 8.36 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 8.39 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 8.37 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 8.14 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 7.46 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 6.73 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | 8.401 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 1,4 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,1 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,16 g/L | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 4,1 x 10-3 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,0 x 10-4 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,5 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,4 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,5 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,5 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,2 x 10-3 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 6.3 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,5 x 10-4 g/l | Obuffrat vatten pH 6,97; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 1,5 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,2 x 10-3 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 1,7 x 10-4 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,4 x 10-6 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,2 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,6 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,5 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,6 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,7 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,3 x 10-6 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 6,8 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,6 x 10-7 mol/l | Obuffrat vatten pH 6,97; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 922.01 | ||
| pka | 8.59 ± 0,40 | Mest sura temp: 25 ° C | (1) ACD |
| pka | 3,87 ± 0,20 | Mest grundläggande temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 22 | (1) ACD | |
| H acceptorer | 15 | (1) ACD | |
| H givare | 1 | (1) ACD | |
| H givare/acceptor summa | 16 | (1) ACD | |
| inloggning | 8.401 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 922.01 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Konditionskälla |
| Polär yta | 176 A2 | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1 H NMR
13 C NMR
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