ChemSpider 2D Image | 1-[(2xi)-5-Deoxy-beta-D-threo-pentofuranosyl]-5-fluoro-4-{[(3-methylbutoxy)carbonyl]amino}-2(1H)-pyrimidinone | C15H22FN3O6

1-[(2ξ)-5-Deoxy-β-D-threo-pentofuranosyl]-5-fluoro-4-{[(3-methylbutoxy)carbonyl]amino}-2(1H)-pyrimidinone

  • Molecular FormulaC15H22FN3O6
  • Average mass359.350 Da
  • Monoisotopic mass359.149261 Da
  • ChemSpider ID23976103

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-[(2ξ)-5-Deoxy-β-D-threo-pentofuranosyl]-5-fluoro-4-{[(3-methylbutoxy)carbonyl]amino}-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-[(2ξ)-5-Desoxy-β-D-threo-pentofuranosyl]-5-fluor-4-{[(3-methylbutoxy)carbonyl]amino}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-[(2ξ)-5-Désoxy-β-D-thréo-pentofuranosyl]-5-fluoro-4-{[(3-méthylbutoxy)carbonyl]amino}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[(2ξ)-5-deoxy-β-D-threo-pentofuranosyl]-5-fluoro-4-[[(3-methylbutoxy)carbonyl]amino]- [ACD/Index Name]
162204-30-0 [RN]

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: 1.601
Molar Refractivity: 82.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.20
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 239.7±7.0 cm3

Click to predict properties on the Chemicalize site


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