ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate | C21H29N10O14P2

[(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

  • Molecular FormulaC21H29N10O14P2
  • Average mass706.453 Da
  • Monoisotopic mass706.126160 Da
  • ChemSpider ID2338908

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(A)-8-Azido-NAD+
134388-69-5 [RN]
8-Azido-NAD
Adenosine, 5'-(trihydrogen diphosphate), 8-azido-, P'-5'-ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide
Nicotinamide 8-azidoadenine dinucleotide

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: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -6.20
ACD/LogD (pH 5.5): -10.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 350 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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