ChemSpider 2D Image | 1-(3-O-Acetyl-2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione | C12H17N2O9P

1-(3-O-Acetyl-2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC12H17N2O9P
  • Average mass364.245 Da
  • Monoisotopic mass364.067169 Da
  • ChemSpider ID57491433

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(3-O-Acetyl-2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(3-O-Acetyl-2-desoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(3-O-Acétyl-2-désoxy-5-O-phosphono-β-D-thréo-pentofuranosyl)-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-(3-O-acetyl-2-deoxy-5-O-phosphono-β-D-threo-pentofuranosyl)-5-methyl- [ACD/Index Name]
4304-30-7 [RN]

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: 1.580
Molar Refractivity: 76.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -5.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 228.6±5.0 cm3

Click to predict properties on the Chemicalize site


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