ChemSpider 2D Image | (3S)-5-(3-carboxy-3-hydroxypropyl) nicotinamide-adenine-dinucleotide | C25H33N7O17P2

(3S)-5-(3-carboxy-3-hydroxypropyl) nicotinamide-adenine-dinucleotide

  • Molecular FormulaC25H33N7O17P2
  • Average mass765.514 Da
  • Monoisotopic mass765.140808 Da
  • ChemSpider ID168583

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S)-5-(3-carboxy-3-hydroxypropyl) nicotinamide-adenine-dinucleotide
(2s)-4-[1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-5-carbamoyl-pyridin-1-ium-3-yl]-2-hydroxy-butanoate
5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide
68889-85-0 [RN]
Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-5-(3-carboxy-3-hydroxypropyl)-1-β-D-ribofuranosylpyridinium hydroxide, inner salt, (S)-
S-Lac-NAD

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: 24
#H bond donors: 12
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -6.32
ACD/LogD (pH 5.5): -7.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 398 Å2
Polarizability:
Surface Tension:
Molar Volume:

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