ChemSpider 2D Image | (S)-NADPHX | C21H32N7O18P3

(S)-NADPHX

  • Molecular FormulaC21H32N7O18P3
  • Average mass763.436 Da
  • Monoisotopic mass763.101685 Da
  • ChemSpider ID389441
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(S)-NADPHX
(6S)-6β-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate
2'-O-phosphonoadenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridin-1-yl]-5-deoxy-β-D-ribofuranosyl} dihydrogen diphosphate)
NPW
β-6-Hydroxy-1,4,5,6-Tetrahydronicotinamide Adenine Dinucleotide Phosphate

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

CHEBI:64084 [DBID]
  • Miscellaneous
    • Chemical Class:

      A tetrahydronicotinamide adenine dinucleotide obtained by formal stereo- and regioselective hydration across the 2,3-double bond in the nicotinyl ring of NADPH, with the hydroxy group located at posit ion 2, having (<stereo>S</stereo>)-configuration. ChEBI CHEBI:64084
      A tetrahydronicotinamide adenine dinucleotide obtained by formal stereo- and regioselective hydration across the 2,3-double bond in the nicotinyl ring of NADPH, with the hydroxy group located at posit ion 2, having (S)-configuration. ChEBI CHEBI:64084

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1206.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 187.6±3.0 kJ/mol
Flash Point: 683.4±37.1 °C
Index of Refraction: 1.867
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 25
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.67
ACD/LogD (pH 5.5): -11.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 414 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 150.1±7.0 dyne/cm
Molar Volume: 323.6±7.0 cm3

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