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ChemSpider 2D Image | [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s)-5-[(4as,10ar)-7,8-Dimethyl-2,4-Dioxo-1,3,4,4a,5,10a-Hexahydrobenzo[g]pteridin-10(2h)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate | C27H37N9O15P2

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

  • Molecular FormulaC27H37N9O15P2
  • Average mass789.581 Da
  • Monoisotopic mass789.188416 Da
  • ChemSpider ID25057319

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

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  • Chemically impossible structures (eg. incorrect valence atoms)
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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-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxype ntyl 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)-5-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxype ntyl 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-[(4aS,10aS)-2,4-dihydroxy-7,8-dimethyl-4a,10a-dihydrobenzo[g]pteridin-10(5H)-yl]-2,3,4-trihydroxypentyl d ihydrogen 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-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxype ntyldihydrogendiphosphat [German] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4S)-5-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxype ntyldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4S)-5-[(4aS,10aS)-2,4-dihydroxy-7,8-dimethyl-4a,10a-dihydrobenzo[g]pteridin-10(5H)-yl]-2,3,4-trihydroxypentyldi hydrogendiphosphat (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-[(4as,10ar)-7,8-Dimethyl-2,4-Dioxo-1,3,4,4a,5,10a-Hexahydrobenzo[g]pteridin-10(2h)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate
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-[(4aS,10aR)-7,8-diméthyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]ptéri din-10(2H)-yl]-2,3,4-trihydroxypentyle [French] [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-[(4aS,10aR)-7,8-diméthyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]ptéri din-10(2H)-yl]-2,3,4-trihydroxypentyle (non-preferred name) [French] [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-[(4aS,10aS)-2,4-dihydroxy-7,8-diméthyl-4a,10a-dihydrobenzo[g]ptéridin-10 (5H)-yl]-2,3,4-trihydroxypentyle (non-preferred name) [French] [ACD/IUPAC Name]

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: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -2.71
ACD/LogD (pH 5.5): -7.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 375 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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