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Search term: InChIKey=OUUYMMOUHMVFLU-VDZCSFMGSA-N (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 5-(1-Hydroxy-2-methoxy-2-oxoethyl)-1-[(2xi)-2-O-methyl-beta-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C13H18N2O9

5-(1-Hydroxy-2-methoxy-2-oxoethyl)-1-[(2ξ)-2-O-methyl-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC13H18N2O9
  • Average mass346.290 Da
  • Monoisotopic mass346.101227 Da
  • ChemSpider ID107449061
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

2,4(1H,3H)-Pyrimidinedione, 5-(1-hydroxy-2-methoxy-2-oxoethyl)-1-[(2ξ)-2-O-methyl-β-D-threo-pentofuranosyl]- [ACD/Index Name]
5-(1-Hydroxy-2-methoxy-2-oxoethyl)-1-[(2ξ)-2-O-methyl-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-(1-Hydroxy-2-methoxy-2-oxoethyl)-1-[(2ξ)-2-O-methyl-β-D-threo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-(1-Hydroxy-2-méthoxy-2-oxoéthyl)-1-[(2ξ)-2-O-méthyl-β-D-thréo-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.03
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.76
Polar Surface Area: 155 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

Click to predict properties on the Chemicalize site






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