C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)
Meatotino Faaletino Autu | Taua | Tulaga |
Molecular Weight | 617.69 | - |
Fa'apuna (Va'ai) | 762.6±70.0 °C | Lomitusi: 760 Torr |
To'atele (Va'ai) | 1.27±0.1 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
pKa (vala'aina) | 13.31±0.70 | Le Tele o le Asi Sua: 25 °C |
ATA AFATA 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
Isomeric 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 Ki
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Isi Igoa mo lea mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 ITULAU: 17 fai mai RNA; 12: PN: US20030211606 ITULAU: 18 fai mai R NA; 12: PN: US20030212017 ITULAU: 19 fai mai R NA; 14: PN: US20040005569 PAG E: 21 fai mai R NA; 15: PN: US20040005565 ITULAU: 17- 22 fai mai RNA; 15: PN: US20040005570 ITULAU: 19 fai mai R NA; 15: PN: U S20040006030 ITULAU: 22 fai mai R NA; 15: PN: US20040014048 ITULAU: 19 fai mai R NA; 16: PN: US20030171313 ITULAU: 9 fai mai RNA; 16: PN: US20030198965 ITULAU: 19 fai mai R NA; 16: PN: US20040014047 ITULAU: 19 fai mai R NA; 16: PN: US20040014049 ITULAU:
19 fai mai RNA; 17: PN: US20040014051 ITULAU: 21 fai mai R NA; 17: PN: US20040014699 ITULAU: 19 fai mai R NA; 17: PN: W
O03106645 ITULAU: 69 fai mai R NA; 18: PN: US20040006029 ITULAU: 22 fai mai R NA; 2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 ITULAU: 15 fai mai R NA; 5: PN: WO2005006958 ITULAU: 61 fai mai R NA; 7: PN: WO20050 07825 ITULAU: 61 fai mai R NA; 82: PN: US20040171566 ITULAU: 18 fai mai R NA; 89: PN: US20040005707 ITULAU: 19 fai mai R NA; 9: PN: WO03084478 ITULAU: 56 fai mai R NA
Meatotino avanoa |
Biological |
Kemisi |
Malosi |
Lipinski |
Fauga Faatatau |
Mafanafana |
Biological
Meatotino | Taua | Tulaga | Punavai |
Bioconcentration Factor | 1.56 | pH 1; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 1.99 | pH 2; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 6.19 | pH 3; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 38.0 | pH 4; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 116 | pH 5; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 146 | pH 6; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 150 | pH 7; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 151 | pH 8; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 151 | pH 9; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 151 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Kemisi
Meatotino | Taua | Tulaga | Punavai |
Koc | 13.0 | pH 1; Maalili: 25 °C | (1) ACD |
Koc | 16.6 | pH 2; Maalili: 25 °C | (1) ACD |
Koc | 51.8 | pH 3; Maalili: 25 °C | (1) ACD |
Koc | 318 | pH 4; Maalili: 25 °C | (1) ACD |
Koc | 966 | pH 5; Maalili: 25 °C | (1) ACD |
Koc | 1220 | pH 6; Maalili: 25 °C | (1) ACD |
Koc | 1260 | pH 7; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Koc | 1260 | pH 8; Maalili: 25 °C | (1) ACD |
Koc | 1260 | pH 9; Maalili: 25 °C | (1) ACD |
Koc | 1260 | pH 10; Maalili: 25 °C | (1) ACD |
ogalaauD | 1.18 | pH 1; Maalili: 25 °C | (1) ACD |
ogalaauD | 1.29 | pH 2; Maalili: 25 °C | (1) ACD |
ogalaauD | 1.78 | pH 3; Maalili: 25 °C | (1) ACD |
ogalaauD | 2.57 | pH 4; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.05 | pH 5; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.16 | pH 6; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.17 | pH 7; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.17 | pH 8; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.17 | pH 9; Maalili: 25 °C | (1) ACD |
ogalaauD | 3.17 | pH 10; Maalili: 25 °C | (1) ACD |
logP | 3.169±0.598 | Maalili: 25 °C | (1) ACD |
Mass Intrinsic Solubility | 5.2 x 10-3 g/L | Maalili: 25 °C | (1) ACD |
Mass Solubility | 0.51 g/L | pH 1; Maalili: 25 °C | (1) ACD |
Mass Solubility | 0.40 g/L | pH 2; Maalili: 25 °C | (1) ACD |
Mass Solubility | 0.13 g/L | pH 3; Maalili: 25 °C | (1) ACD |
Mass Solubility | 0.020 g/L | pH 4; Maalili: 25 °C | (1) ACD |
Mass Solubility | 6.8 x 10-3 g/L | pH 5; Maalili: 25 °C | (1) ACD |
Mass Solubility | 5.4 x 10-3 g/L | pH 6; Maalili: 25 °C | (1) ACD |
Mass Solubility | 5.3 x 10-3 g/L | pH 7; Maalili: 25 °C | (1) ACD |
Mass Solubility | 5.2 x 10-3 g/L | pH 8; Maalili: 25 °C | (1) ACD |
Mass Solubility | 5.2 x 10-3 g/L | pH 9; Maalili: 25 °C | (1) ACD |
Mass Solubility | 5.2 x 10-3 g/L | pH 10; Maalili: 25 °C | (1) ACD |
Mass Solubility | 5.3 x 10-3 g/L | Suavai e le fa'afefe pH 7.05; Maalili: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 8.4 x 10-6 mol/L | Maalili: 25 °C | (1) ACD |
Molar Solubility | 8.2 x 10-4 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
Molar Solubility | 6.4 x 10-4 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.1 x 10-4 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
Molar Solubility | 3.3 x 10-5 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
Molar Solubility | 1.1 x 10-5 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Molar Solubility | 8.7 x 10-6 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
Molar Solubility | 8.5 x 10-6 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
Molar Solubility | 8.4 x 10-6 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
Molar Solubility | 8.4 x 10-6 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
Molar Solubility | 8.4 x 10-6 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
Molar Solubility | 8.5 x 10-6 mol/L | Suavai e le fa'afefe pH 7.05; Maalili: 25 °C | (1) ACD |
Molecular Weight | 617.69 | ||
pKa | 13.31±0.70 | Le Tele o le Asi Sua: 25 °C | (1) ACD |
pKa | 4.58±0.10 | Tele Su'esu'ega Autu: 25 °C | (1) ACD |
Omiga ausa | 1.89 x 10-24 Torr | Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Malosi
Meatotino | Taua | Tulaga | Punavai |
Malosi | 1.27±0.1 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
Molar Volume | 483.8±7.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Meatotino | Taua | Tulaga | Punavai |
Noanoaga e mafai ona fesuia'i saoloto | 14 | (1) ACD | |
H Tagata talia | 11 | (1) ACD | |
H Donors | 3 | (1) ACD | |
H Fa'ameaalofa/Tagata Talia | 14 | (1) ACD | |
logP | 3.169±0.598 | Maalili: 25 °C | (1) ACD |
Molecular Weight | 617.69 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
Meatotino | Taua | Tulaga | Punavai |
Polar Surface Area | 134 A2 | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Mafanafana
Meatotino | Taua | Tulaga | Punavai |
Fa'apuna | 762.6±70.0 °C | Lomitusi: 760 Torr | (1) ACD |
Entalpy o le Ausa | 116.53±3.0 kJ/mol | Lomitusi: 760 Torr | (1) ACD |
Mata'imu | 415.0±35.7 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1H NMR
13C NMR