ChemSpider 2D Image | 5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE | C18H24N4O13P2

5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE

  • Molecular FormulaC18H24N4O13P2
  • Average mass566.350 Da
  • Monoisotopic mass566.081482 Da
  • ChemSpider ID4810234

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE
5'-O-[{[{2-[(2-Aminobenzoyl)oxy]ethoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[{[{2-[(2-Aminobenzoyl)oxy]ethoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[{[{2-[(2-Aminobenzoyl)oxy]éthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[[[[2-[(2-aminobenzoyl)oxy]ethoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
1AA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 842.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 463.0±37.1 °C
Index of Refraction: 1.711
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -7.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 99.9±7.0 dyne/cm
Molar Volume: 297.0±7.0 cm3

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