ChemSpider 2D Image | 3-[2-Amino-6-(cyclohexylmethoxy)-3H-purin-8-yl]-2-methylbenzoic acid | C20H23N5O3

3-[2-Amino-6-(cyclohexylmethoxy)-3H-purin-8-yl]-2-methylbenzoic acid

  • Molecular FormulaC20H23N5O3
  • Average mass381.428 Da
  • Monoisotopic mass381.180084 Da
  • ChemSpider ID31135600

More details:

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

3-[2-Amino-6-(cyclohexylmethoxy)-3H-purin-8-yl]-2-methylbenzoesäure [German] [ACD/IUPAC Name]
3-[2-Amino-6-(cyclohexylmethoxy)-3H-purin-8-yl]-2-methylbenzoic acid [ACD/IUPAC Name]
3-[2-Azanyl-6-(Cyclohexylmethoxy)-7h-Purin-8-Yl]-2-Methyl-Benzoic Acid
Acide 3-[2-amino-6-(cyclohexylméthoxy)-3H-purin-8-yl]-2-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-amino-6-(cyclohexylmethoxy)-9H-purin-8-yl]-2-methyl- [ACD/Index Name]
2WC

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 12.35
ACD/KOC (pH 5.5): 61.28
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.90
Polar Surface Area: 127 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 284.4±3.0 cm3

Click to predict properties on the Chemicalize site


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