![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) (aci) (aci) (aci) (](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![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)](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) (aci) (aci) (aci) (
Numero ng rehistro ng CAS
163759-94-2
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 922.01 | - |
| pka (hinulaang) | 8.59 ± 0.40 | Karamihan sa acidic temp: 25 ° C. |
Canonical smiles
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
Ngumiti si Isomeric
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
Inchi
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) 25-21-39 ) 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 key
Fligvmliidvdsn-gicdfoiiusa-n
26 Iba pang mga pangalan para sa sangkap na ito
Cytidine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-. 12: PN: WO03084478 Pahina: 57 inaangkin ang DNA; 14: PN: US20030170636 Pahina: 17 inaangkin ang DNA; 15: PN: u
S20030211606 Pahina: 19 inaangkin ang DNA; 15: PN: US20030212017 Pahina: 19 inaangkin ang DNA; 16: PN: US20040005569 Pahina: 22 inaangkin ang DNA; 17: PN: US20040006030 Pahina: 23 inaangkin ang DNA; 17: PN: US20040014049 Pahina: 20 inaangkin ang DNA; 18: PN: US20040014047 PAG E: 20 inaangkin ang DNA; 18: PN: US20040014048 Pahina: 20 inaangkin ang DNA; 18: PN: US20040014050 Pahina: 20 inaangkin ang DNA; 19: PN: u
S20030171313 Pahina: 9 na inaangkin ang DNA; 19: PN: US20030198965 Pahina: 20 inaangkin ang DNA; 19: PN: US20040005565 Pahina: 17- 22 inaangkin ang DNA; 19: PN: US20040005570 Pahina: 20 inaangkin ang DNA; 19: PN: US20040014051 Pahina: 22 inaangkin ang DNA; 20: PN: US20040014699 Pag
E: 20 inaangkin ang DNA; 21: PN: US20040006029 Pahina: 23 inaangkin ang DNA; 21: PN: WO03106645 Pahina: 72 inaangkin ang DNA; 61: PN: US20030
166592 Pahina: 15 inaangkin ang DNA; 7: PN: WO2005006958 Pahina: 62 inaangkin ang DNA; 84: PN: US20040171566 Pahina: 18 inaangkin ang DNA; 92:
PN: US20040005707 Pahina: 20 inaangkin ang DNA; 9: PN: WO2005007825 Pahina: 62 inaangkin ang DNA;N4-Benzoyl-2 ′-O-methoxyethyl-5-O-Dimethoxytrityl-5-methylcytidine-3 ′ -phosphoramidite;N4-Benzoyl-2 ′-O-methoxyethyl -5 ′ -O-dimethoxytrityl-5-methylcytidine-3 ′-amidite
Magagamit ang spectra
13 C NMR
Hetero nmr
Magagamit ang mga pag -aari
Biological
Kemikal
Lipinski
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| 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) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| 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 |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| 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 |
| Mass intrinsic solubility | 1.4 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.1 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.16 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.1 x 10-3 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.0 x 10-4 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.5 x 10-4 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.4 x 10-4 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.5 x 10-4 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.5 x 10-4 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.2 x 10-3 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 6.3 x 10-3 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.5 x 10-4 g/l | Hindi nabuong tubig pH 6.97; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 1.5 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.2 x 10-3 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 1.7 x 10-4 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.4 x 10-6 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.2 x 10-7 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.6 x 10-7 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.5 x 10-7 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.6 x 10-7 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.7 x 10-7 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-6 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.8 x 10-6 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.6 x 10-7 mol/l | Hindi nabuong tubig pH 6.97; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 922.01 | ||
| PKA | 8.59 ± 0.40 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 3.87 ± 0.20 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 22 | (1) ACD | |
| H Mga Tanggap | 15 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| Logp | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 922.01 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Mapagkukunan ng kondisyon |
| Polar Surface Area | 176 A2 | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1 h nmr
13 C NMR
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