ChemSpider 2D Image | (S)-NADHX(1-) | C21H30N7O15P2

(S)-NADHX(1-)

  • Molecular FormulaC21H30N7O15P2
  • Average mass682.449 Da
  • Monoisotopic mass682.128052 Da
  • ChemSpider ID26330794

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(S)-NADHX(1-)
(6S)-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide anion
(6S)-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide(1-)
adenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridinium-1(2H)-yl]-5-deoxy-β-D-ribofuranosyl} diphosphate)

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

CHEBI:57458 [DBID]
  • Miscellaneous

    • Chemical Class:

      The anion of (6S)-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide arising from deprotonation of both OH groups of the diphosphate moiety. ChEBI CHEBI:57458

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

Density:
Boiling Point: 1114.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.7±3.0 kJ/mol
Flash Point: 627.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.09
ACD/LogD (pH 5.5): -8.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 364 Å2
Polarizability:
Surface Tension:
Molar Volume:

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