ChemSpider 2D Image | 2-Amino-9-[5-deoxy-6-S-(phosphonomethyl)-6-thio-beta-D-ribo-hexofuranosyl]-1,9-dihydro-6H-purin-6-one | C12H18N5O7PS

2-Amino-9-[5-deoxy-6-S-(phosphonomethyl)-6-thio-β-D-ribo-hexofuranosyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC12H18N5O7PS
  • Average mass407.339 Da
  • Monoisotopic mass407.066467 Da
  • ChemSpider ID34224044

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-9-[5-deoxy-6-S-(phosphonomethyl)-6-thio-β-D-ribo-hexofuranosyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[5-desoxy-6-S-(phosphonomethyl)-6-thio-β-D-ribo-hexofuranosyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[5-désoxy-6-S-(phosphonométhyl)-6-thio-β-D-ribo-hexofuranosyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[5-deoxy-6-S-(phosphonomethyl)-6-thio-β-D-ribo-hexofuranosyl]-1,9-dihydro- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.891
Molar Refractivity: 86.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -5.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 127.7±7.0 dyne/cm
Molar Volume: 187.1±7.0 cm3

Click to predict properties on the Chemicalize site


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