![C50H60N5O10P Cytidine, N-benzoyl-5 '- [MetHoxyPhenyl) PhenylmetHyl] -2' - (2-Cyanoethyl n, n-bis (1-methylethyl) fosphoramidite] (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5 '- [MethOxyPhenyl) fenylmethyl] -2' - (2-metylethyl) fosphoramidite] (aci) featured image](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5 '- [MetHoxyPhenyl) PhenylmetHyl] -2' - (2-Cyanoethyl n, n-bis (1-methylethyl) fosphoramidite] (aci)
CAS Registry Number
163759-94-2
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 922.01 | - |
| PKA (foarsizze) | 8.59 ± 0,40 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # CCCOP (OC1C (OC (N2C = c (c (= nc2 = o) nc (= cc = c = cc = c = c = c = c = c = c = c = c = c (c (c (c (c (c (c (c (c (c (c) c) c = c (cc = c = c = c = c = c = c = c = c (cc = c = c = c (cc =
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@ h] c) c (c (c) c) Occc # n) [c @) n = c (cc = cc = c (c) c (c) c (c) c (c4 = cc = C (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = cv = c6
Inchi
Inchi = 1s / c50h60n5o10p / c1-34 (2) 55 (35 (3) 4) 66 (33-29-15-28-51) 65-446 (33-13-10.39-20-24-20-24-20-24-20-24-20-24-20-24-20-24-20-241 (59-7) 25-21-39 ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-6-58-6) 54-32-6 (5) 46 (53 (53) 57) 52-47 (56) 37-16-11-9-12-17-37 / H9-14-11 / H9-14-17-9-12-17-37 / H9-14-17-9-12-17-37 / H9-14-17-37 / H9-14-17-9-12-17-37 / H9-14.16-27,32,34- 35.49-45,48h, 15,29-31,33h2,1-8h3, (h, 52,53,56,57) / t43-, 44-, 45-, 45-, 66? / M1 / s1
Inchi-kaai
Fligvmliidvdsn-gickdfoiusa-n
26 oare nammen foar dizze substansje
Cytidine,N-benzoyl-5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-O- (2-Methoxyethyl) - 5-methyl-, 3 '- [2-Cyanethyl bis (1-methyleth) fosphoramidite] (9ci); 12: PN: WO03084478 Side: 57 claimte DNA; 14: pn: US20030170636 Side: 17 opeaske DNA; 15: pn: u
S20030211606 Side: 19 easke DNA; 15: PN: US20030212017 Side: 19% opeaske DNA; 16: PN: US20040005569 pagina: 22 bewearden DNA; 17: PN: US20040006030 Side: 23, 23% opeaske; 17: PN: US20040014049 Side: 20 easke DNA; 18: PN: US20040014047 PAG E: 20 opeaske DNA; 18: pn: US20040014048 Side: 20 easke DNA; 18: pn: US20040014050 pagina: 20 easke DNA; 19: PN: U
S20030171313 Side: 9 bewearden DNA; 19: PN: US20030198965 365% opeaske DNA; 19: Pn: US20040005565 Side: 17- 22 opeaske DNA; 19: PN: US20040005570 Side: 20 opeaske DNA; 19: PN: US20040014051 Side: 22 bewearden DNA; 20: PN: US20040014699 Hag
E: 20 opeaske DNA; 21: PN: US20040006029 pagina: 23, 23% opeaske; 21: PN: WO03106645 Page: 72 easke DNA; 61: PN: US20030
166592 Side: 15 bewearden DNA; 7: PN: Wo2005006958 Side: 62 easke DNA; 84: PN: US20040171566 Side: 18 opeaske DNA; 92:
PN: US20040005707 Side: 20 easke DNA; 9: PN: Wo2005007825 Side: 62 easke DNA;N4-benzoyl-2 '-O-MethOxyethyl-5-O- OfbyldetoxytrityL-5-methylcytidine-3 '-fosphoramidite;N4-benzoyl-2 '-O-Methoxyethyl-5 '-O-DimethOxyTrityL-5-methylcytidine-3 '- amidite
Spectra te krijen
13 C NMR
Hetero nmr
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 171 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1250 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 47600 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 6.44 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 7.79 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.63 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 30800 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Besit | Wearde | Betingst | Boarne |
| 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 intrinsike oplosmiddel | 1,4 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.1 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.16 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,1 x 10-3 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.0 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,5 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,5 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 2,5 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,2 x 10-3 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 6.3 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,5 x 10-4 g / l | Unbuffered water Ph 6.97; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1,5 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.2 X 10-3 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 1,7 x 10-4 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4,4 x 10-6 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3.2 x 10-7 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.6 x 10-7 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,5 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.6 x 10-7 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,7 x 10-7 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.3 x 10-6 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6,8 x 10-6 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.6 x 10-7 Mol / L | Unbuffered water Ph 6.97; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 922.01 | ||
| pka | 8.59 ± 0,40 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 3,87 ± 0.20 | Meast basic temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 22 | (1) ACD | |
| H akseptearders | 15 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 16 | (1) ACD | |
| Logp | 8.401 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 922.01 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 176 a2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1 h nmr
13 C NMR
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