ChemSpider 2D Image | 2-{4-[(~2~H_3_)Methylcarbamoyl]-1H-pyrazol-1-yl}adenosine | C15H15D3N8O5

2-{4-[(2H3)Methylcarbamoyl]-1H-pyrazol-1-yl}adenosine

  • Molecular FormulaC15H15D3N8O5
  • Average mass393.372 Da
  • Monoisotopic mass393.158844 Da
  • ChemSpider ID77498953

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-{4-[(2H3)Methylcarbamoyl]-1H-pyrazol-1-yl}adenosin [German] [ACD/IUPAC Name]
2-{4-[(2H3)Methylcarbamoyl]-1H-pyrazol-1-yl}adenosine [ACD/IUPAC Name]
2-{4-[(2H3)Méthylcarbamoyl]-1H-pyrazol-1-yl}adénosine [French] [ACD/IUPAC Name]
Adenosine, 2-[4-[(methyl-d3-amino)carbonyl]-1H-pyrazol-1-yl]- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.896
Molar Refractivity: 91.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.09
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.43
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.43
Polar Surface Area: 186 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 100.8±7.0 dyne/cm
Molar Volume: 196.6±7.0 cm3

Click to predict properties on the Chemicalize site


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