ChemSpider 2D Image | 4-Amino-1-{5-O-[({[2,3-bis(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone | C40H73N3O15P2

4-Amino-1-{5-O-[({[2,3-bis(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC40H73N3O15P2
  • Average mass897.966 Da
  • Monoisotopic mass897.451721 Da
  • ChemSpider ID4386101

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[[[[2,3-bis[(1-oxotetradecyl)oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]pentofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[({[2,3-bis(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[2,3-bis(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[2,3-bis(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 924.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.6±6.0 kJ/mol
Flash Point: 512.9±37.1 °C
Index of Refraction: 1.558
Molar Refractivity: 220.1±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 9.47
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 22.89
ACD/KOC (pH 5.5): 18.70
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 17.17
ACD/KOC (pH 7.4): 14.03
Polar Surface Area: 283 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 683.0±7.0 cm3

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