ChemSpider 2D Image | 5'-O-{(S)-Hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine | C18H30N4O15P2

5'-O-{(S)-Hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine

  • Molecular FormulaC18H30N4O15P2
  • Average mass604.396 Da
  • Monoisotopic mass604.118286 Da
  • ChemSpider ID395524

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-{(S)-Hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidin [German] [ACD/IUPAC Name]
5'-O-{(S)-Hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine [ACD/IUPAC Name]
5'-O-{(S)-Hydroxy[(3-{[(2R)-2-hydroxy-3,3-diméthyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[(S)-hydroxy[3-[[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]amino]-1-oxopropoxy]phosphinyl]- [ACD/Index Name]
PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER
4'-PHOSPHOPANTOTHENOYL- CYTIDINE-5'-MONOPHOSPHATE
Phosphoric Acid Mono-[3-(3-{[5-(4-Amino-2-Oxo-2h-Pyrimidin-1-Yl)-3,4- Dihydroxy-Tetrahydro-Furan-2-Ylmethoxy]-Hydroxy-Phosphoryloxy}-3-Oxo-Propylcarbamoyl)-3-Hydroxy-2,2- Dimethyl-Propyl] Ester

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

PMT [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -4.30
ACD/LogD (pH 5.5): -9.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 94.2±7.0 dyne/cm
Molar Volume: 322.3±7.0 cm3

Click to predict properties on the Chemicalize site


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