ChemSpider 2D Image | NAD+ | C21H28N7O14P2

NAD+

  • Molecular FormulaC21H28N7O14P2
  • Average mass664.432 Da
  • Monoisotopic mass664.116394 Da
  • ChemSpider ID5682
  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

1-[(2R,3R,4S,5R)-5-({[{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-3-carbamoylpyridinium
58-68-4 [RN]
NAD+
[(3S,2R,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3S,2R,4R,5R)-5-(3-carbamoylpyridyl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl) hydrogen phosphate
3-Carbamoyl-1-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate
3-Carbamoyl-1-β-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt
3-Carbamoyl-1-β-δ-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt
3-Carbamoyl-1-δ-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate
CO-I
Cozymase
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

bmse000053 [DBID]
BRN 3584133 [DBID]
C00003 [DBID]
CHEBI:15846 [DBID]
D00002 [DBID]
DivK1c_000189 [DBID]
KBio1_000189 [DBID]
KBio2_001453 [DBID]
KBio2_004021 [DBID]
KBio2_006589 [DBID]
More...

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: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.72
ACD/LogD (pH 5.5): -5.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 338 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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