ChemSpider 2D Image | 1-{(3xi)-5-Deoxy-5-[(4-methoxy-4-oxobutanoyl)amino]-beta-D-threo-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione | C14H19N3O8

1-{(3ξ)-5-Deoxy-5-[(4-methoxy-4-oxobutanoyl)amino]-β-D-threo-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC14H19N3O8
  • Average mass357.316 Da
  • Monoisotopic mass357.117218 Da
  • ChemSpider ID61740276

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-{(3ξ)-5-Deoxy-5-[(4-methoxy-4-oxobutanoyl)amino]-β-D-threo-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{(3ξ)-5-Desoxy-5-[(4-methoxy-4-oxobutanoyl)amino]-β-D-threo-pentofuranosyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{(3ξ)-5-Désoxy-5-[(4-méthoxy-4-oxobutanoyl)amino]-β-D-thréo-pentofuranosyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-5-deoxy-5-[(4-methoxy-1,4-dioxobutyl)amino]-β-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.578
Molar Refractivity: 79.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.00
Polar Surface Area: 155 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 240.2±3.0 cm3

Click to predict properties on the Chemicalize site


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