ChemSpider 2D Image | {(1S,4S)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol | C14H18N6O

{(1S,4S)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol

  • Molecular FormulaC14H18N6O
  • Average mass286.332 Da
  • Monoisotopic mass286.154205 Da
  • ChemSpider ID28420752

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

{(1S,4S)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol [German] [ACD/IUPAC Name]
{(1S,4S)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol [ACD/IUPAC Name]
{(1S,4S)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentén-1-yl}méthanol [French] [ACD/IUPAC Name]
2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4S)- [ACD/Index Name]
[(1S)-4-[2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL]CYCLOPENT-2-EN-1-YL]METHANOL
[(1S)-4-[2-AMINO-6-(CYCLOPROPYLAMINO)PURIN-9-YL]CYCLOPENT-2-EN-1-YL]METHANOL
136470-78-5 [RN]
188062-50-2 [RN]
Abacavir [INN] [Wiki]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 636.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.4±34.3 °C
Index of Refraction: 1.864
Molar Refractivity: 75.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 84.10
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.91
ACD/KOC (pH 7.4): 123.99
Polar Surface Area: 102 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 80.2±7.0 dyne/cm
Molar Volume: 167.7±7.0 cm3

Click to predict properties on the Chemicalize site


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