![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P cytidin, N-benzoyl-5 ′ -O- [bis (4-metoksyfenyl) fenylmetyl] -2 ′ -O- (2-metoksyetyl)-5-metyl-, 3 ′-[2-kyanoetyl N, N-bis (1-metyletyl)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
CAS registernummer
163759-94-2
| Viktige fysiske egenskaper | Verdi | Betingelse |
| Molekylvekt | 922.01 | - |
| PKA (spådd) | 8,59 ± 0,40 | Mest sure temp: 25 ° C |
Kanoniske smil
N#CCCOP (OC1C (OC (N2C = C (C (= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = C4) C
Isomere smil
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) (c4 = cc = cc = c3) c (c (c2) (c4 = cc = cc = cc = c3) c (c2) (c3 = cc = C (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-13-10-14-19-38-39-20-50-50-4-41 (59-7-19-38-39-20-20-20-20-418-13-10-14-19-38-39-20-20-24-4181 (59-7-19-19-38-39-20-20-50-50-50-50-50-4-18-13-10-14-19-19-3-6 (33 år ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-31-30-58-6) 54-32-36 (5) 46 (53-11-11-12-16-16-16-16-16-16-16-16-11-1.--12--17- Den og 47-16-16-16-16-16-31- h. 35,43-45,48H, 15,29-31,33H2,1-8H3, (H, 52,53,56,57)/T43-, 44-, 45-, 48-, 66?/M1/S1
Inchi -nøkkel
Fligvmliidvdsn-gicdfoiusa-n
26 andre navn for dette stoffet
Cytidin,N-Benzoyl -5 ′ -O-[BIS (4-metoksyfenyl) fenylmetyl] -2 ′-O-(2-metoksyetyl)-5-metyl-, 3 ′-[2-cyanoetylbis (1-metyletyl) fosforamiditt] (9Ci); 12: PN: WO03084478 Side: 57 hevdet DNA; 14: PN: US20030170636 Side: 17 hevdet DNA; 15: PN: U.
S20030211606 Side: 19 hevdet DNA; 15: PN: US20030212017 Side: 19 hevdet DNA; 16: PN: US20040005569 Side: 22 hevdet DNA; 17: PN: US20040006030 Side: 23 hevdet DNA; 17: PN: US20040014049 Side: 20 hevdet DNA; 18: PN: US20040014047 PAG E: 20 hevdet DNA; 18: PN: US20040014048 Side: 20 hevdet DNA; 18: PN: US20040014050 Side: 20 hevdet DNA; 19: PN: U.
S20030171313 Side: 9 hevdet DNA; 19: PN: US20030198965 Side: 20 hevdet DNA; 19: PN: US20040005565 Side: 17-22 hevdet DNA; 19: PN: US20040005570 Side: 20 hevdet DNA; 19: PN: US20040014051 Side: 22 hevdet DNA; 20: PN: US20040014699 PAG
E: 20 hevdet DNA; 21: PN: US20040006029 Side: 23 hevdet DNA; 21: PN: WO03106645 Side: 72 hevdet DNA; 61: PN: US20030
166592 Side: 15 hevdet DNA; 7: PN: WO2005006958 Side: 62 hevdet DNA; 84: PN: US20040171566 Side: 18 hevdet DNA; 92:
PN: US20040005707 Side: 20 hevdet DNA; 9: PN: WO2005007825 Side: 62 hevdet DNA;N4-benzoyl-2 ′-O-Metoksyetyl-5-O-dimetoksytrityl-5-metylcytidin-3 ′ -fosforamiditt;N4-benzoyl-2 ′-O-Metoksyetyl -5 ′ -O-Dimetoksytrityl-5-metylcytidin-3 ′-Amidite
Spektra tilgjengelig
13 C NMR
Hetero NMR
Egenskaper tilgjengelig
Biologisk
Kjemisk
Lipinski
Struktur relatert
| Eiendom | Verdi | Betingelse | Kilde |
| Biokonsentrasjonsfaktor | 171 | pH 1; Temp: 25 ° C. | (1) ACD |
| Biokonsentrasjonsfaktor | 1250 | pH 2; Temp: 25 ° C. | (1) ACD |
| Biokonsentrasjonsfaktor | 47600 | pH 3; Temp: 25 ° C. | (1) ACD |
| Biokonsentrasjonsfaktor | 6.44 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Biokonsentrasjonsfaktor | 1,00 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Biokonsentrasjonsfaktor | 1,00 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Biokonsentrasjonsfaktor | 1,00 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Biokonsentrasjonsfaktor | 7.79 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Biokonsentrasjonsfaktor | 1,63 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Biokonsentrasjonsfaktor | 30800 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Beregnet ved bruk av Advanced Chemistry Development (ACD/Labs) Programvare V11.02 (© 1994-2023 ACD/Labs)
| Eiendom | Verdi | Betingelse | Kilde |
| 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 |
| Eiendom | Verdi | Betingelse | Kilde |
| 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 |
| LOGP | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Masse iboende løselighet | 1,4 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 1.1 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 0,16 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 4.1 x 10-3 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 3,0 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 1,5 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 1,4 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 1,5 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 2,5 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 1,2 x 10-3 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 6,3 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseløselighet | 1,5 x 10-4 g/l | Ubuffet vann pH 6,97; Temp: 25 ° C. | (1) ACD |
| Molar egenløselighet | 1,5 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 1,2 x 10-3 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Eiendom | Verdi | Betingelse | Kilde |
| Molar løselighet | 1,7 x 10-4 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 4,4 x 10-6 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 3,2 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 1,6 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 1,5 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 1,6 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 2,7 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 1,3 x 10-6 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 6,8 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar løselighet | 1,6 x 10-7 mol/l | Ubuffet vann pH 6,97; Temp: 25 ° C. | (1) ACD |
| Molekylvekt | 922.01 | ||
| Pka | 8,59 ± 0,40 | Mest sure temp: 25 ° C | (1) ACD |
| Pka | 3,87 ± 0,20 | Mest grunnleggende temp: 25 ° C | (1) ACD |
(1) Beregnet ved bruk av Advanced Chemistry Development (ACD/Labs) Programvare V11.02 (© 1994-2023 ACD/Labs)
| Eiendom | Verdi | Betingelse | Kilde |
| Fritt roterbare bindinger | 22 | (1) ACD | |
| H akseptorer | 15 | (1) ACD | |
| H givere | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| LOGP | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Molekylvekt | 922.01 |
(1) Beregnet ved bruk av Advanced Chemistry Development (ACD/Labs) Programvare V11.02 (© 1994-2023 ACD/Labs)
| Eiendom | Verdi | Tilstandskilde |
| Polær overflateareal | 176 A2 | (1) ACD |
(1) Beregnet ved bruk av Advanced Chemistry Development (ACD/Labs) Programvare V11.02 (© 1994-2023 ACD/Labs)
Spektra tilgjengelig
1 H NMR
13 C NMR
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