ChemSpider 2D Image | N-[4-Hydroxy-3-(~2~H_3_)methyl(4,4-~2~H_2_)-2-buten-1-yl]adenosine | C15H16D5N5O5

N-[4-Hydroxy-3-(2H3)methyl(4,4-2H2)-2-buten-1-yl]adenosine

  • Molecular FormulaC15H16D5N5O5
  • Average mass356.388 Da
  • Monoisotopic mass356.185638 Da
  • ChemSpider ID57619968

  • 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

Adenosine, N-[3-(hydroxymethyl-d2)-2-buten-1-yl-4,4,4-d3]- [ACD/Index Name]
N-[4-Hydroxy-3-(2H3)methyl(4,4-2H2)-2-buten-1-yl]adenosin [German] [ACD/IUPAC Name]
N-[4-Hydroxy-3-(2H3)methyl(4,4-2H2)-2-buten-1-yl]adenosine [ACD/IUPAC Name]
N-[4-Hydroxy-3-(2H3)méthyl(4,4-2H2)-2-butén-1-yl]adénosine [French] [ACD/IUPAC Name]
72963-21-4 [RN]
N6-[4,4,4-trideuterio-3-(dideuterio-hydroxy-methyl)-but-2-enyl]-adenosine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 731.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.4±35.7 °C
Index of Refraction: 1.728
Molar Refractivity: 84.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.96
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.10
Polar Surface Area: 146 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 212.9±7.0 cm3

Click to predict properties on the Chemicalize site


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