ChemSpider 2D Image | 9-[(4xi)-5-O-{[(2,3-Dihydroxybenzoyl)azanidyl]sulfonyl}-D-erythro-pentofuranosyl]-9H-purin-6-amine | C17H17N6O9S

9-[(4ξ)-5-O-{[(2,3-Dihydroxybenzoyl)azanidyl]sulfonyl}-D-erythro-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC17H17N6O9S
  • Average mass481.417 Da
  • Monoisotopic mass481.078308 Da
  • ChemSpider ID34552568

  • Charge - Charge

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

9-[(4ξ)-5-O-{[(2,3-Dihydroxybenzoyl)azanidyl]sulfonyl}-D-erythro-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[(4ξ)-5-O-{[(2,3-Dihydroxybenzoyl)azanidyl]sulfonyl}-D-érythro-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(4ξ)-5-O-[[(2,3-dihydroxybenzoyl)amino]sulfonyl]-D-erythro-pentofuranosyl]-, ion(1-) [ACD/Index 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: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability:
Surface Tension:
Molar Volume:

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