ChemSpider 2D Image | Fad-Trans-2-Phenylcyclopropylamine Adduct | C36H43N9O16P2

Fad-Trans-2-Phenylcyclopropylamine Adduct

  • Molecular FormulaC36H43N9O16P2
  • Average mass919.725 Da
  • Monoisotopic mass919.230286 Da
  • ChemSpider ID20581234

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-phenyl-2,3,5,6-tetrahydro-1H-benzo[g]p yrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-phenyl-2,3,5,6-tetrahydro-1H-benzo[g]p yrrolo[2,1-e]pteridin-8(4H)-yl]pentyldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-diméthyl-4,6-dioxo-3-phény l-2,3,5,6-tétrahydro-1H-benzo[g]pyrrolo[2,1-e]ptéridin-8(4H)-yl]pentyle [French] [ACD/IUPAC Name]
Fad-Trans-2-Phenylcyclopropylamine Adduct
FAJ

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.828
Molar Refractivity: 206.8±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -6.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 387 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 103.0±7.0 dyne/cm
Molar Volume: 471.9±7.0 cm3

Click to predict properties on the Chemicalize site


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