ChemSpider 2D Image | 1-[(3xi)-2-Deoxy-5-O-phosphono-beta-L-glycero-pentofuranosyl]-5-sulfanyl-2,4(1H,3H)-pyrimidinedione | C9H13N2O8PS

1-[(3ξ)-2-Deoxy-5-O-phosphono-β-L-glycero-pentofuranosyl]-5-sulfanyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H13N2O8PS
  • Average mass340.247 Da
  • Monoisotopic mass340.013031 Da
  • ChemSpider ID57491612

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[(3ξ)-2-Deoxy-5-O-phosphono-β-L-glycero-pentofuranosyl]-5-sulfanyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(3ξ)-2-Desoxy-5-O-phosphono-β-L-glycero-pentofuranosyl]-5-sulfanyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(3ξ)-2-Désoxy-5-O-phosphono-β-L-glycéro-pentofuranosyl]-5-sulfanyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-2-deoxy-5-O-phosphono-β-L-glycero-pentofuranosyl]-5-mercapto- [ACD/Index Name]
61366-71-0 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -6.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 96.2±5.0 dyne/cm
Molar Volume: 188.4±5.0 cm3

Click to predict properties on the Chemicalize site


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