ChemSpider 2D Image | (3S)-1-[(S)-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]-2-{[(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridiniumyl)-3,4-dihydroxytetrahydro-2-furanyl] methyl}-3-hydroxydioxaphosphirane-1,2-diium 3-oxide | C21H28N7O14P2

(3S)-1-[(S)-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]-2-{[(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridiniumyl)-3,4-dihydroxytetrahydro-2-furanyl] methyl}-3-hydroxydioxaphosphirane-1,2-diium 3-oxide

  • Molecular FormulaC21H28N7O14P2
  • Average mass664.431 Da
  • Monoisotopic mass664.115295 Da
  • ChemSpider ID393891

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S)-1-[(S)-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]-2-{[(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridiniumyl)-3,4-dihydroxytetrahydro-2-furanyl] methyl}-3-hydroxydioxaphosphiran-1,2-diium-3-oxid [German] [ACD/IUPAC Name]
(3S)-1-[(S)-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]-2-{[(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridiniumyl)-3,4-dihydroxytetrahydro-2-furanyl] methyl}-3-hydroxydioxaphosphirane-1,2-diium 3-oxide [ACD/IUPAC Name]
3-Oxyde de (3S)-1-[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]-2-{[(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridiniumyl)-3,4-dihydroxytétrahydro -2-furanyl]méthyl}-3-hydroxydioxaphosphirane-1,2-diium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 319 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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