ChemSpider 2D Image | 2-(~2~H_3_)Methyl-4-(9H-purin-6-ylamino)(1,1-~2~H_2_)-2-buten-1-ol | C10H8D5N5O

2-(2H3)Methyl-4-(9H-purin-6-ylamino)(1,1-2H2)-2-buten-1-ol

  • Molecular FormulaC10H8D5N5O
  • Average mass224.274 Da
  • Monoisotopic mass224.143387 Da
  • ChemSpider ID57619966

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methyl-4-(9H-purin-6-ylamino)(1,1-2H2)-2-buten-1-ol [German] [ACD/IUPAC Name]
2-(2H3)Methyl-4-(9H-purin-6-ylamino)(1,1-2H2)-2-buten-1-ol [ACD/IUPAC Name]
2-(2H3)Méthyl-4-(9H-purin-6-ylamino)(1,1-2H2)-2-butén-1-ol [French] [ACD/IUPAC Name]
2-Buten-1,1-d2-1-ol, 2-(methyl-d3)-4-(9H-purin-6-ylamino)- [ACD/Index Name]
1,1-dideuterio-4-(7(9)H-purin-6-ylamino)-2-trideuteriomethyl-but-2-en-1-ol
72963-19-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 306.9±30.1 °C
Index of Refraction: 1.720
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 55.24
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 55.85
Polar Surface Area: 87 Å2
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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