ChemSpider 2D Image | (2-{[(2S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-propanyl]oxy}ethyl)phosphonic acid | C10H16N5O6P

(2-{[(2S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-propanyl]oxy}ethyl)phosphonic acid

  • Molecular FormulaC10H16N5O6P
  • Average mass333.238 Da
  • Monoisotopic mass333.083832 Da
  • ChemSpider ID59052759

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2-{[(2S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-propanyl]oxy}ethyl)phosphonic acid [ACD/IUPAC Name]
(2-{[(2S)-1-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-propanyl]oxy}ethyl)phosphonsäure [German] [ACD/IUPAC Name]
(2-{[(2s)-1-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-3-Hydroxypropan-2-Yl]oxy}ethyl)phosphonic Acid
Acide (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxy-2-propanyl]oxy}éthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[(1S)-2-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]ethyl]- [ACD/Index Name]
4X7

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.766
Molar Refractivity: 71.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.95
ACD/LogD (pH 5.5): -6.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 106.3±7.0 dyne/cm
Molar Volume: 171.7±7.0 cm3

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