ChemSpider 2D Image | Nicotinic acid-adenine dinucleotide | C21H26N6O15P2

Nicotinic acid-adenine dinucleotide

  • Molecular FormulaC21H26N6O15P2
  • Average mass664.410 Da
  • Monoisotopic mass664.093140 Da
  • ChemSpider ID145042
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

6450-77-7 [RN]
Nicotinic acid-adenine dinucleotide
Deamido-NAD+
NAAD
NaADN
NAADP
nicotinate adenine dinucleotide
Nicotinic acid adenine dinucleotide phosphate [Wiki]
[1-[5-[[[[5-[(6-amino-9H-purin-9-yl)]-3,4-dihydroxy- tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy- phosphinoyl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-1H- pyrid-5-yl]-oxido-meth
1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4Y1TS06J4H [DBID]
UNII:4Y1TS06J4H [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -7.73
ACD/LogD (pH 5.5): -8.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability:
Surface Tension:
Molar Volume:

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