ChemSpider 2D Image | 6-Amino-9-[(2S)-2,3-dihydroxypropyl]-7,9-dihydro-8H-purin-8-one | C8H11N5O3

6-Amino-9-[(2S)-2,3-dihydroxypropyl]-7,9-dihydro-8H-purin-8-one

  • Molecular FormulaC8H11N5O3
  • Average mass225.205 Da
  • Monoisotopic mass225.086182 Da
  • ChemSpider ID75223277

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-Amino-9-[(2S)-2,3-dihydroxypropyl]-7,9-dihydro-8H-purin-8-on [German] [ACD/IUPAC Name]
6-Amino-9-[(2S)-2,3-dihydroxypropyl]-7,9-dihydro-8H-purin-8-one [ACD/IUPAC Name]
6-Amino-9-[(2S)-2,3-dihydroxypropyl]-7,9-dihydro-8H-purin-8-one [French] [ACD/IUPAC Name]
8H-Purin-8-one, 6-amino-9-[(2S)-2,3-dihydroxypropyl]-7,9-dihydro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 53.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.73
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.83
Polar Surface Area: 125 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 99.7±3.0 dyne/cm
Molar Volume: 140.3±3.0 cm3

Click to predict properties on the Chemicalize site


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