ChemSpider 2D Image | b-DPNH | C21H29N7O14P2


  • Molecular FormulaC21H29N7O14P2
  • Average mass665.441 Da
  • Monoisotopic mass665.124756 Da
  • ChemSpider ID82558
  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5S)-5-(6-Amino-7H-purin-8-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(3-carbamoyl-1(4H)-pyridinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-pr eferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5S)-5-(6-Amino-7H-purin-8-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3S,4R,5R)-5-(3-carbamoyl-1(4H)-pyridinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat (non-prefe rred name) [German] [ACD/IUPAC Name]
Adenosine 5'-(Trihydrogen Diphosphate) P'®5'-Ester with 1,4-Dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide
Adenosine 5'-(Trihydrogen Pyrophosphate) 5'®5'-Ester with 1,4-Dihydro-1-b-D-ribofuranosylnicotinamide
Adenosine Pyrophosphate 5'®5'-Ester with 1,4-Dihydro-1-b-D-ribofuranosylnicotinamide
Dihydrogénodiphosphate de [(2R,3S,4R,5S)-5-(6-amino-7H-purin-8-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3S,4R,5R)-5-(3-carbamoyl-1(4H)-pyridinyl)-3,4-dihydroxytétrahydro-2-furanyl]méth yle [French] [ACD/IUPAC Name]
nicotinamide-adenine dinucleotide, reduced
Reduced nicotinamide-adenine dinucleotide

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

443892-10-2,58-68-4 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1136.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.4±3.0 kJ/mol
Flash Point: 640.9±37.1 °C
Index of Refraction: 1.736
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.95
ACD/LogD (pH 5.5): -10.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 128.8±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

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