ChemSpider 2D Image | 2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(1-hydroxyethyl)-3-methyl-2-thienyl]ethyl phosphono hydrogen phosphate | C15H23N3O8P2S

2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(1-hydroxyethyl)-3-methyl-2-thienyl]ethyl phosphono hydrogen phosphate

  • Molecular FormulaC15H23N3O8P2S
  • Average mass467.371 Da
  • Monoisotopic mass467.068115 Da
  • ChemSpider ID22378106

More details:






Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 723.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.5±35.7 °C
Index of Refraction: 1.636
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -5.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 81.8±3.0 dyne/cm
Molar Volume: 297.0±3.0 cm3

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