ChemSpider 2D Image | 2-[[9-[3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butanedioic acid | C14H18N5O11P

2-[[9-[3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butanedioic acid

  • Molecular FormulaC14H18N5O11P
  • Average mass463.293 Da
  • Monoisotopic mass463.074036 Da
  • ChemSpider ID21232328

More details:






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

Density: 2.2±0.1 g/cm3
Boiling Point: 921.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.4±3.0 kJ/mol
Flash Point: 511.3±37.1 °C
Index of Refraction: 1.834
Molar Refractivity: 92.9±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -7.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 256 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 125.3±7.0 dyne/cm
Molar Volume: 210.8±7.0 cm3

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