ChemSpider 2D Image | 4-Amino-1-{5-O-[hydroxy({hydroxy[(trans-2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone | C15H25N3O16P2

4-Amino-1-{5-O-[hydroxy({hydroxy[(trans-2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC15H25N3O16P2
  • Average mass565.317 Da
  • Monoisotopic mass565.070984 Da
  • ChemSpider ID129307627

  • defined stereocentres - 2 of 10 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[hydroxy[[hydroxy[(trans-2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[hydroxy({hydroxy[(trans-2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[hydroxy({hydroxy[(trans-2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[hydroxy({hydroxy[(trans-2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
C19794
CDP-1L-myo-inositol

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

Density: 2.4±0.1 g/cm3
Boiling Point: 854.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.2±6.0 kJ/mol
Flash Point: 470.7±37.1 °C
Index of Refraction: 1.824
Molar Refractivity: 102.4±0.5 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.17
ACD/LogD (pH 5.5): -10.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 331 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 148.8±7.0 dyne/cm
Molar Volume: 234.6±7.0 cm3

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