ChemSpider 2D Image | 1-[(3xi)-3,5-Di-O-acetyl-2-deoxy-beta-D-glycero-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C13H16N2O7

1-[(3ξ)-3,5-Di-O-acetyl-2-deoxy-β-D-glycero-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC13H16N2O7
  • Average mass312.275 Da
  • Monoisotopic mass312.095764 Da
  • ChemSpider ID57426678

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[(3ξ)-3,5-Di-O-acetyl-2-deoxy-β-D-glycero-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(3ξ)-3,5-Di-O-acetyl-2-desoxy-β-D-glycero-pentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(3ξ)-3,5-Di-O-acétyl-2-désoxy-β-D-glycéro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-3,5-di-O-acetyl-2-deoxy-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
1-(3,5-Di-O-acetyl-2-deoxy-b-D-ribofuranosyl)uracil
13030-62-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.556
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.65
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.49
Polar Surface Area: 111 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 221.6±5.0 cm3

Click to predict properties on the Chemicalize site


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