ChemSpider 2D Image | (2E)-2-Methyl-4-(7H-purin-6-ylamino)(4,4-~2~H_2_)-2-buten-1-ol | C10H11D2N5O

(2E)-2-Methyl-4-(7H-purin-6-ylamino)(4,4-2H2)-2-buten-1-ol

  • Molecular FormulaC10H11D2N5O
  • Average mass221.255 Da
  • Monoisotopic mass221.124557 Da
  • ChemSpider ID78057728

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

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

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): 1.19
ACD/BCF (pH 5.5): 4.72
ACD/KOC (pH 5.5): 105.42
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.77
ACD/KOC (pH 7.4): 106.40
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

Click to predict properties on the Chemicalize site


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