ChemSpider 2D Image | 2-Amino-9-[(4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-9H-purin-6-ol | C11H13N5O2

2-Amino-9-[(4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-9H-purin-6-ol

  • Molecular FormulaC11H13N5O2
  • Average mass247.253 Da
  • Monoisotopic mass247.106918 Da
  • ChemSpider ID77429951

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Amino-9-[(4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-9H-purin-6-ol [German] [ACD/IUPAC Name]
2-Amino-9-[(4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-9H-purin-6-ol [ACD/IUPAC Name]
2-Amino-9-[(4S)-4-(hydroxyméthyl)-2-cyclopentén-1-yl]-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 2-amino-9-[(4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 621.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.6±34.3 °C
Index of Refraction: 1.842
Molar Refractivity: 62.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 85.1±7.0 dyne/cm
Molar Volume: 140.5±7.0 cm3

Click to predict properties on the Chemicalize site


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