ChemSpider 2D Image | 4-Amino-1-[5-O-({[(2,3,4-trihydroxy-3-methylbutoxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinone | C14H23N3O14P2

4-Amino-1-[5-O-({[(2,3,4-trihydroxy-3-methylbutoxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC14H23N3O14P2
  • Average mass519.293 Da
  • Monoisotopic mass519.066650 Da
  • ChemSpider ID24785400

  • Charge - Charge

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[hydroxy[[hydroxy(2,3,4-trihydroxy-3-methylbutoxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-, ion(2-) [ACD/Index Name]
4-Amino-1-[5-O-({[(2,3,4-trihydroxy-3-methylbutoxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[5-O-({[(2,3,4-trihydroxy-3-methylbutoxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[5-O-({[(2,3,4-trihydroxy-3-méthylbutoxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
CDP-ME*CDP-methyl-D-erythritol*4-diphosphocytidyl-2C-methyl-D-erythritol*4-diphosphocytidyl-2-C-methylerythritol

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

Density:
Boiling Point: 861.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.3±6.0 kJ/mol
Flash Point: 474.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.89
ACD/LogD (pH 5.5): -9.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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