ChemSpider 2D Image | 1-{(2R,3R,5R)-3,4-Diacetyl-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-oxopropyl]tetrahydro-2-furanyl}-2,4(1H,3H)-pyrimidinedione | C15H18N2O9

1-{(2R,3R,5R)-3,4-Diacetyl-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-oxopropyl]tetrahydro-2-furanyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC15H18N2O9
  • Average mass370.311 Da
  • Monoisotopic mass370.101227 Da
  • ChemSpider ID24541170

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1-{(2R,3R,5R)-3,4-Diacetyl-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-oxopropyl]tetrahydro-2-furanyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{(2R,3R,5R)-3,4-Diacetyl-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-oxopropyl]tetrahydro-2-furanyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{(2R,3R,5R)-3,4-Diacétyl-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-oxopropyl]tétrahydro-2-furanyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-2,3-di-C-acetyl-7-deoxy-β-D-ribo-heptofuranosyl-6-ulose]- [ACD/Index Name]
2-((1R)-1-hydroxy-2-oxopropyl)(2R,4R,5R)-3,4-diacetyl-5-(2,4-dioxo(1,3-dihydropyrimidinyl))-3,4-dihydroxyoxolane
2',3',5'-Triacetyluridine

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 51.47
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 50.77
Polar Surface Area: 171 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 80.0±3.0 dyne/cm
Molar Volume: 233.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement