ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-E]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen dip | C36H43N9O16P2

[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-E]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen dip

  • Molecular FormulaC36H43N9O16P2
  • Average mass919.725 Da
  • Monoisotopic mass919.230000 Da
  • ChemSpider ID25057230
  • 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)-5-[(3R,3aS,7aR)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pterid in-8(4H)-yl]-2,3,4-trihydroxypentyl 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-[(3R,3aS,7aR)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pterid in-8(4H)-yl]-2,3,4-trihydroxypentyldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-E]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen dip
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-[(3R,3aS,7aR)-10,11-diméthyl-1,4,6-trioxo-3-phényl-2,3,5,6,7,7a-hexahydr o-1H-benzo[g]pyrrolo[2,1-e]ptéridin-8(4H)-yl]-2,3,4-trihydroxypentyle (non-preferred name) [French] [ACD/IUPAC Name]
[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s)-5-[(3r,3as,7ar)-10,11-Dimethyl-1,4,6-Trioxo-3-Phenyl-2,3,5,6,7,7a-Hexahydro-1h-Benzo[g]pyrrolo[2,1-E]pteridin-8(4h)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate
FA9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.828
Molar Refractivity: 206.8±0.0 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 384 Å2
Polarizability: 82.0±0.0 10-24cm3
Surface Tension: 103.0±0.0 dyne/cm
Molar Volume: 471.9±0.0 cm3

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