![C50H60N5O10P sitidien, N-benzoyl-5 ′ -O- [bis (4-metoksifeniel) fenielmetiel] -2 ′ -o- (2-methoxyethyl)-5-metiel-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamidiet] (Aci))](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P sitidien, n-benzoyl-5 ′ -o- [bis (4-methoxyphenyl) fenielmethyl] -2 ′ -o- (2-methoxyethyl)-5-metiel-, 3 ′-[2-cyanoethyl N, N-Bis (1-metieletiel) fosforamidiet] (Aci), met beeld van beeld (1-metieletiel) fosforamidiet]](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P sitidien, N-benzoyl-5 ′ -O- [bis (4-metoksifeniel) fenielmetiel] -2 ′ -o- (2-methoxyethyl)-5-metiel-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamidiet] (Aci))
CAS -registernommer
163759-94-2
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 922.01 | - |
| PKA (voorspel) | 8,59 ± 0,40 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte
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 (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C)
Isomeriese glimlagte
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 = C (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Duim
INCHI = 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) 25-21-3939 )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 -sleutel
Fligvmliidvdsn-gicdfoiusa-n
26 ander name vir hierdie stof
Sitidien,N-benzoyl -5 ′ -O-[bis (4-metoksifeniel) fenielmetiel] -2 ′-O-(2-methoxyethyl)-5-metiel-, 3 ′-[2-cyanoethyl bis (1-metieletiel) fosforamidiet] (9ci); 12: PN: WO03084478 Bladsy: 57 DNA geëis; 14: PN: US20030170636 Bladsy: 17 DNA geëis; 15: PN: U
S20030211606 Bladsy: 19 DNA geëis; 15: PN: US20030212017 Bladsy: 19 DNA geëis; 16: PN: US20040005569 Bladsy: 22 DNA geëis; 17: PN: US20040006030 Page: 23 DNA geëis; 17: PN: US20040014049 Bladsy: 20 DNA geëis; 18: PN: US20040014047 PAG E: 20 DNA geëis; 18: PN: US20040014048 Bladsy: 20 DNA geëis; 18: PN: US20040014050 Bladsy: 20 DNA geëis; 19: PN: U
S20030171313 Bladsy: 9 DNA geëis; 19: PN: US20030198965 Bladsy: 20 DNA geëis; 19: PN: US20040005565 Bladsy: 17- 22 DNA geëis; 19: PN: US20040005570 Bladsy: 20 DNA geëis; 19: PN: US20040014051 Bladsy: 22 DNA geëis; 20: PN: US20040014699 PAG
E: 20 DNA geëis; 21: PN: US20040006029 Bladsy: 23 DNA geëis; 21: PN: WO03106645 Bladsy: 72 DNA geëis; 61: PN: US20030
166592 Bladsy: 15 DNA geëis; 7: PN: WO2005006958 Bladsy: 62 DNA geëis; 84: PN: US20040171566 Bladsy: 18 Eise DNA; 92:
PN: US20040005707 Bladsy: 20 DNA geëis; 9: PN: WO2005007825 Bladsy: 62 DNA geëis;N4-benzoyl-2 ′-O-methoxyethyl-5-O-dimethoxytrityL-5-metielcytidien-3 ′ -fosforamidiet;N4-benzoyl-2 ′-O-Methoxyethyl -5 ′ -O-dimethoxytrityL-5-metielcytidien-3 ′-amidiet
Spektra beskikbaar
13 C NMR
Hetero NMR
Eiendom beskikbaar
Biologies
Chemies
Lipinski
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 171 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1250 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 47600 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 6.44 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,00 x 106 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 7.79 x 105 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,63 x 105 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 30800 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestand | Bron |
| 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 | Waarde | Toestand | Bron |
| 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 |
| Massa intrinsieke oplosbaarheid | 1,4 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,1 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,16 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4.1 x 10-3 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,0 x 10-4 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,5 x 10-4 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,4 x 10-4 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,5 x 10-4 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,5 x 10-4 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,2 x 10-3 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 6,3 x 10-3 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,5 x 10-4 g/l | Ongebufferde water pH 6,97; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 1,5 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,2 x 10-3 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 1,7 x 10-4 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.4 x 10-6 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,2 x 10-7 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-7 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,5 x 10-7 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-7 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,7 x 10-7 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,3 x 10-6 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,8 x 10-6 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-7 mol/l | Ongebufferde water pH 6,97; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 922.01 | ||
| pka | 8,59 ± 0,40 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 3,87 ± 0,20 | Die meeste basiese temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 22 | (1) ACD | |
| H Acceptors | 15 | (1) ACD | |
| H -donateurs | 1 | (1) ACD | |
| H Skenker/Acceptor Sum | 16 | (1) ACD | |
| logp | 8.401 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 922.01 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestandbron |
| Pooloppervlakte | 176 A2 | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1 H NMR
13 C NMR
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