![C34H39N3O8 Cytidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methox yethyl)-5-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C34H39N3O8 Cytidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methox yethyl)-5-methyl- (9CI, ACI)
| Key Physical Properties | Wearde | Betingst |
| Molekulêr gewicht | 617.69 | - |
| Kookpunt (foarsein) | 762,6±70,0 °C | Druk: 760 Torr |
| Tichtheid (foarsein) | 1,27±0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (foarsein) | 13,31±0,70 | Meast soere Temp: 25 °C |
Canonical SMILES O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
Isomere SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19) -18-40-2)29(38)28(45-32)21-44-34(23-8-6-5-7-9-23,24-10-14-26(4) 1-3)15-11-24)25-12-16-27(42-4)17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1- 4H3,(H2,35,36,39)/t28-,29-,30-,32-/m1/s1
InChI Key
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Oare nammen foar dizze stof
5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 PAGE: 17 opeaske RNA; 12: PN: US20030211606 PAGE: 18 opeaske R NA; 12: PN: US20030212017 PAGE: 19 opeaske R NA; 14: PN: US20040005569 PAG E: 21 opeaske R NA; 15: PN: US20040005565 PAGE: 17- 22 opeaske RNA; 15: PN: US20040005570 PAGE: 19 opeaske R NA; 15: PN: U S20040006030 PAGE: 22 opeaske R NA; 15: PN: US20040014048 PAGE: 19 opeaske R NA; 16: PN: US20030171313 PAGE: 9 opeaske RNA; 16: PN: US20030198965 PAGE: 19 opeaske R NA; 16: PN: US20040014047 PAGE: 19 opeaske R NA; 16: PN: US20040014049 PAGE:
19 opeaske RNA; 17: PN: US20040014051 PAGE: 21 opeaske R NA; 17: PN: US20040014699 PAGE: 19 opeaske R NA; 17: PN: W
O03106645 PAGE: 69 claimed R NA; 18: PN: US20040006029 PAGE: 22 opeaske R NA; 2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5-methylcytidine; 58: PN: US20030166592 PAGE: 15 opeaske R NA; 5: PN: WO2005006958 PAGE: 61 opeaske R NA; 7: PN: WO20050 07825 PAGE: 61 opeaske R NA; 82: PN: US20040171566 PAGE: 18 opeaske R NA; 89: PN: US20040005707 PAGE: 19 opeaske R NA; 9: PN: WO03084478 PAGE: 56 opeaske R NA
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Tichtheid |
| Lipinski |
| Struktuer Related |
| Thermal |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.56 | pH 1; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.99 | pH 2; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 6.19 | pH 3; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 38,0 | pH 4; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 116 | pH 5; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 146 | pH 6; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 150 | pH 7; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 151 | pH 8; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 151 | pH 9; Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 151 | pH 10; Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 13.0 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 16.6 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 51.8 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 318 | pH 4; Temp: 25 °C | (1) ACD |
| Koc | 966 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 1220 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 1260 | pH 7; Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 1260 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 1260 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 1260 | pH 10; Temp: 25 °C | (1) ACD |
| logD | 1.18 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 1.29 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 1.78 | pH 3; Temp: 25 °C | (1) ACD |
| logD | 2.57 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 3.05 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 3.16 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 3.17 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 3.17 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 3.17 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 3.17 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 3.169±0.598 | Temp: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 5,2 x 10-3 g/L | Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,51 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,40 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,13 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,020 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 6,8 x 10-3 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,4 x 10-3 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,3 x 10-3 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,2 x 10-3 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,2 x 10-3 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,2 x 10-3 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,3 x 10-3 g/L | Unbuffered wetter pH 7,05; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 8,4 x 10-6 mol/L | Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 8,2 x 10-4 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 6,4 x 10-4 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 2,1 x 10-4 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,3 x 10-5 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-5 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 8,7 x 10-6 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 8,5 x 10-6 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 8,4 x 10-6 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 8,4 x 10-6 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 8,4 x 10-6 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 8,5 x 10-6 mol/L | Unbuffered wetter pH 7,05; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 617.69 | ||
| pKa | 13,31±0,70 | Meast soere Temp: 25 °C | (1) ACD |
| pKa | 4,58±0,10 | Meast Basic Temp: 25 °C | (1) ACD |
| Dampdruk | 1,89 x 10-24 Torr | Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tichtheid
| Besit | Wearde | Betingst | Boarne |
| Tichtheid | 1,27±0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molar Volume | 483,8±7,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij draaibare obligaasjes | 14 | (1) ACD | |
| H Aksepteurs | 11 | (1) ACD | |
| H Donateurs | 3 | (1) ACD | |
| H Donor / Akseptor Sum | 14 | (1) ACD | |
| logP | 3.169±0.598 | Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 617.69 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer Related
| Besit | Wearde | Betingst | Boarne |
| Polar Surface Area | 134 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Besit | Wearde | Betingst | Boarne |
| Kookpunt | 762,6±70,0 °C | Druk: 760 Torr | (1) ACD |
| Entalpy fan ferdamping | 116,53±3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flash Point | 415,0±35,7 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra beskikber
1H NMR
13C NMR
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