ChemSpider 2D Image | abacavir carboxylate | C14H16N6O2

abacavir carboxylate

  • Molecular FormulaC14H16N6O2
  • Average mass300.316 Da
  • Monoisotopic mass300.133484 Da
  • ChemSpider ID28571782

More details:

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

2-Cyclopentene-1-carboxylic acid, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]- [ACD/Index Name]
384380-52-3 [RN]
4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-carbonsäure [German] [ACD/IUPAC Name]
4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-carboxylic acid [ACD/IUPAC Name]
abacavir 5'-carboxylate
abacavir carboxylate
Acide 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentène-1-carboxylique [French] [ACD/IUPAC Name]

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

FO2D75G53I [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 691.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 371.9±34.3 °C
Index of Refraction: 1.899
Molar Refractivity: 76.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.58
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 89.6±7.0 dyne/cm
Molar Volume: 164.9±7.0 cm3

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