ChemSpider 2D Image | AcNADH | C22H30N6O14P2

AcNADH

  • Molecular FormulaC22H30N6O14P2
  • Average mass664.453 Da
  • Monoisotopic mass664.129517 Da
  • ChemSpider ID29368326
  • defined stereocentres - 6 of 8 defined stereocentres


More details:






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

AcNADH
reduced 3-acetylpyridine adenine dinucleotide
  • Miscellaneous
    • Chemical Class:

      A dinucleotide that is NADH with the amide group om the nictotinamide ring replaced with an acetyl group. ChEBI CHEBI:74521

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1019.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.0±3.0 kJ/mol
Flash Point: 570.6±37.1 °C
Index of Refraction: 1.800
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.53
ACD/LogD (pH 5.5): -8.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 311 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 110.1±7.0 dyne/cm
Molar Volume: 323.7±7.0 cm3

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