ChemSpider 2D Image | [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s)-5-[7,8-Dimethyl-5-(3-Methylbutanoyl)-2,4-Dioxo-1,3,4,5-Tetrahydrobenzo[g]pteridin-10(2h)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate | C32H43N9O16P2

[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s)-5-[7,8-Dimethyl-5-(3-Methylbutanoyl)-2,4-Dioxo-1,3,4,5-Tetrahydrobenzo[g]pteridin-10(2h)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate

  • Molecular FormulaC32H43N9O16P2
  • Average mass871.682 Da
  • Monoisotopic mass871.230286 Da
  • ChemSpider ID26326871

  • defined stereocentres - 7 of 7 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-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s)-5-[7,8-Dimethyl-5-(3-Methylbutanoyl)-2,4-Dioxo-1,3,4,5-Tetrahydrobenzo[g]pteridin-10(2h)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydro xypentyl dihydrogen diphosphate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4S)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydro xypentyldihydrogendiphosphat (non-preferred name) [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)-5-[7,8-diméthyl-5-(3-méthylbutanoyl)-2,4-dioxo-1,3,4,5-tétrahydrobenzo[g]p téridin-10(2H)-yl]-2,3,4-trihydroxypentyle (non-preferred name) [French] [ACD/IUPAC Name]
FNK

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: 1.783
Molar Refractivity: 192.5±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -7.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 384 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 94.8±7.0 dyne/cm
Molar Volume: 457.8±7.0 cm3

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