ChemSpider 2D Image | (2E)-2-Methyl-4-(7H-purin-6-ylamino)(2-~13~C,4,4-~2~H_2_)-2-buten-1-ol | C913CH11D2N5O


  • Molecular FormulaC913CH11D2N5O
  • Average mass222.248 Da
  • Monoisotopic mass222.127914 Da
  • ChemSpider ID76837235
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-2-Methyl-4-(7H-purin-6-ylamino)(2-13C,4,4-2H2)-2-buten-1-ol [German] [ACD/IUPAC Name]
(2E)-2-Methyl-4-(7H-purin-6-ylamino)(2-13C,4,4-2H2)-2-buten-1-ol [ACD/IUPAC Name]
(2E)-2-Méthyl-4-(7H-purin-6-ylamino)(2-13C,4,4-2H2)-2-butén-1-ol [French] [ACD/IUPAC Name]
2-Buten-4,4-d2-1-ol-2-13C, 2-methyl-4-(7H-purin-6-ylamino)-, (2E)- [ACD/Index Name]
1287206-71-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 79.3±3.0 dyne/cm
Molar Volume: 157.9±3.0 cm3

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