ChemSpider 2D Image | (2R,3R,4R,5R)-5-({[{[(2R,3R,4R,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-amino-1-pyridiniumy l)-4-hydroxytetrahydro-3-furanolate | C20H28N7O16P3

(2R,3R,4R,5R)-5-({[{[(2R,3R,4R,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-amino-1-pyridiniumy l)-4-hydroxytetrahydro-3-furanolate

  • Molecular FormulaC20H28N7O16P3
  • Average mass715.395 Da
  • Monoisotopic mass715.080566 Da
  • ChemSpider ID149817

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4R,5R)-5-({[{[(2R,3R,4R,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-amino-1-pyridiniumy l)-4-hydroxytetrahydro-3-furanolat [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-5-({[{[(2R,3R,4R,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-amino-1-pyridiniumy l)-4-hydroxytetrahydro-3-furanolate [ACD/IUPAC Name]
(2R,3R,4R,5R)-5-({[{[(2R,3R,4R,5R)-2-(6-Amino-9H-purin-9-yl)-4-hydroxy-5-({[hydroxy(phosphonooxy)phosphoryl]oxy}méthyl)tétrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}méthyl)-2-(3-amino-1-pyridiniumy l)-4-hydroxytétrahydro-3-furanolate [French] [ACD/IUPAC Name]
3-Aminopyridine adenine dinucleotide phosphate
5'-(Trihydrogen diphosphate) 2'-(dihydrogen phosphate), 5'-5'-ester with 3-amino-1-β-D-ribofuranosylpyridinium, hydroxide, inner salt
54758-28-0 [RN]

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: 23
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -10.57
ACD/LogD (pH 5.5): -10.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 380 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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