ChemSpider 2D Image | [(3aR,4R,6R,6aR)-6-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl hydrogen phosphonate | C10H13N5O9P2

[(3aR,4R,6R,6aR)-6-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl hydrogen phosphonate

  • Molecular FormulaC10H13N5O9P2
  • Average mass409.186 Da
  • Monoisotopic mass409.018860 Da
  • ChemSpider ID26325369

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3aR,4R,6R,6aR)-6-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl hydrogen phosphonate [ACD/IUPAC Name]
[(3aR,4R,6R,6aR)-6-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methylhydrogenphosphonat [German] [ACD/IUPAC Name]
Hydrogénophosphonate de [(3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxydotétrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]méthyle [French] [ACD/IUPAC Name]
Phosphonic acid, mono[[(3aR,4R,6R,6aR)-6-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)tetrahydro-2-hydroxy-2-oxidofuro[3,4-d]-1,3,2-dioxaphosphol-4-yl]methyl] ester [ACD/Index Name]

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

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 4
#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: 230 Å2
Polarizability:
Surface Tension:
Molar Volume:

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