ChemSpider 2D Image | {(1S,2E)-2-[(6-Amino-9H-purin-9-yl)methylene]cyclopropyl}methanol | C10H11N5O

{(1S,2E)-2-[(6-Amino-9H-purin-9-yl)methylene]cyclopropyl}methanol

  • Molecular FormulaC10H11N5O
  • Average mass217.227 Da
  • Monoisotopic mass217.096359 Da
  • ChemSpider ID110609702

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(1S,2E)-2-[(6-Amino-9H-purin-9-yl)methylen]cyclopropyl}methanol [German] [ACD/IUPAC Name]
{(1S,2E)-2-[(6-Amino-9H-purin-9-yl)methylene]cyclopropyl}methanol [ACD/IUPAC Name]
{(1S,2E)-2-[(6-Amino-9H-purin-9-yl)méthylène]cyclopropyl}méthanol [French] [ACD/IUPAC Name]
Cyclopropanemethanol, 2-[(6-amino-9H-purin-9-yl)methylene]-, (1S,2E)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 525.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 271.7±32.9 °C
Index of Refraction: 1.852
Molar Refractivity: 56.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.18
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.59
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.08
Polar Surface Area: 90 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 82.0±7.0 dyne/cm
Molar Volume: 127.1±7.0 cm3

Click to predict properties on the Chemicalize site


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