ChemSpider 2D Image | 2-Amino-6-hydroxy-7-methyl-9-{5-O-[(R)-{[(phosphonooxy)phosphinato]oxy}(sulfanyl)phosphoryl]-beta-D-ribofuranosyl}-9H-purin-7-ium | C11H18N5O13P3S

2-Amino-6-hydroxy-7-methyl-9-{5-O-[(R)-{[(phosphonooxy)phosphinato]oxy}(sulfanyl)phosphoryl]-β-D-ribofuranosyl}-9H-purin-7-ium

  • Molecular FormulaC11H18N5O13P3S
  • Average mass553.273 Da
  • Monoisotopic mass552.983459 Da
  • ChemSpider ID90666394

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Amino-6-hydroxy-7-methyl-9-{5-O-[(R)-{[(phosphonooxy)phosphinato]oxy}(sulfanyl)phosphoryl]-β-D-ribofuranosyl}-9H-purin-7-ium [German] [ACD/IUPAC Name]
2-Amino-6-hydroxy-7-methyl-9-{5-O-[(R)-{[(phosphonooxy)phosphinato]oxy}(sulfanyl)phosphoryl]-β-D-ribofuranosyl}-9H-purin-7-ium [ACD/IUPAC Name]
2-Amino-6-hydroxy-7-méthyl-9-{5-O-[(R)-{[(phosphonooxy)phosphinato]oxy}(sulfanyl)phosphoryl]-β-D-ribofuranosyl}-9H-purin-7-ium [French] [ACD/IUPAC Name]
9H-Purinium, 2-amino-6-hydroxy-9-[5-O-[(R)-[[hydroxy(phosphonooxy)phosphinyl]oxy]mercaptophosphinyl]-β-D-ribofuranosyl]-7-methyl-, inner salt [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: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#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: 341 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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