ChemSpider 2D Image | 4-[(1R)-1-hydroxy-2-oxo-3-phosphonooxypropyl]nicotinamide adenine dinucleotide | C24H32N7O20P3

4-[(1R)-1-hydroxy-2-oxo-3-phosphonooxypropyl]nicotinamide adenine dinucleotide

  • Molecular FormulaC24H32N7O20P3
  • Average mass831.467 Da
  • Monoisotopic mass831.091492 Da
  • ChemSpider ID25058292

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-[(1R)-1-hydroxy-2-oxo-3-phosphonooxypropyl]nicotinamide adenine dinucleotide
ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-β-D-RIBOFURANOSYLPYRIDINIUM INNER SALT
  • Miscellaneous

    • Chemical Class:

      A nicotinamide dinucleotide consisting of NADP zwitterion lacking the 2'-phsopho group and having a (1<stereo>R</stereo>)-1-hydroxy-2-oxo-3-phosphonooxypropyl group at position 4 of the nicotinamide f ragment. ChEBI CHEBI:44234
      A nicotinamide dinucleotide consisting of NADP zwitterion lacking the 2'-phsopho group and having a (1R)-1-hydroxy-2-oxo-3-phosphonooxypropyl group at position 4 of the nicotinamide fragment. ChEBI CHEBI:44234

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 27
#H bond donors: 13
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -7.91
ACD/LogD (pH 5.5): -9.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 455 Å2
Polarizability:
Surface Tension:
Molar Volume:

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