ChemSpider 2D Image | [(2S,3R,4S,5S)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonoyl phosphate | C22H28N6O13P2

[(2S,3R,4S,5S)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonoyl phosphate

  • Molecular FormulaC22H28N6O13P2
  • Average mass646.438 Da
  • Monoisotopic mass646.118958 Da
  • ChemSpider ID21169525
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

3-Acetylpyridin-adenin-dinucleotid
3-Acetylpyridine adenine dinucleotide
3-Acetylpyridine adenine dinucleotide, reduced form
86-08-8 [RN]
APAD

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

A5137_SIGMA [DBID]
A5251_SIGMA [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: 19
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -8.28
ACD/LogD (pH 5.5): -7.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 308 Å2
Polarizability:
Surface Tension:
Molar Volume:

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