ChemSpider 2D Image | alpha-NADH | C21H29N7O14P2

α-NADH

  • Molecular FormulaC21H29N7O14P2
  • Average mass665.441 Da
  • Monoisotopic mass665.124756 Da
  • ChemSpider ID30786270
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

α-NADH
5869-54-5 [RN]
  • Miscellaneous
    • Chemical Class:

      A nicotinamide dinucleotide that is NADH in which the anomeric centre of the ribosyldihydronicotinamide moiety has <stereo>alpha</stereo>- rather than <stereo>beta</stereo>-configuration ChEBI CHEBI:77311
      A nicotinamide dinucleotide that is NADH in which the anomeric centre of the ribosyldihydronicotinamide moiety has alpha- rather than beta-configuration ChEBI CHEBI:77311

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1081.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.2±3.0 kJ/mol
Flash Point: 608.0±37.1 °C
Index of Refraction: 1.845
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.35
ACD/LogD (pH 5.5): -9.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 337 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 126.9±7.0 dyne/cm
Molar Volume: 305.2±7.0 cm3

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