ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-Amino-4,5-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosp hate | C27H35N9O15P2

[(2R,3S,4R,5R)-5-(6-Amino-4,5-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosp hate

  • Molecular FormulaC27H35N9O15P2
  • Average mass787.566 Da
  • Monoisotopic mass787.172791 Da
  • ChemSpider ID4476233

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-4,5-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosp hate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-4,5-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyldihydrogendiphospha t [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(6-amino-4,5-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de 5-(7,8-diméthyl-2,4-dioxo-3,4-dihydrobenzo[g]ptéridin-10(2H)-yl)-2,3,4-tr ihydroxypentyle [French] [ACD/IUPAC Name]
Flavin adenine dinucleotide

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.850
Molar Refractivity: 168.1±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -5.73
ACD/LogD (pH 5.5): -9.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 373 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 114.4±7.0 dyne/cm
Molar Volume: 376.2±7.0 cm3

Click to predict properties on the Chemicalize site


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