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

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

  • Molecular FormulaC10H8D5N5O
  • Average mass224.274 Da
  • Monoisotopic mass224.143387 Da
  • ChemSpider ID62984586
  • 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-(2H3)Methyl-4-(1H-purin-6-ylamino)(1,1-2H2)-2-buten-1-ol [German] [ACD/IUPAC Name]
(2E)-2-(2H3)Methyl-4-(1H-purin-6-ylamino)(1,1-2H2)-2-buten-1-ol [ACD/IUPAC Name]
(2E)-2-(2H3)Méthyl-4-(1H-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-(1H-purin-6-ylamino)-, (2E)- [ACD/Index Name]
72963-19-0 [RN]
trans-Zeatin-d5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 395.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 192.7±30.7 °C
Index of Refraction: 1.684
Molar Refractivity: 59.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 156.6±7.0 cm3

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