ChemSpider 2D Image | 1-{3,5-O-[(4-Carboxyphenyl)(phosphono)methylene]-2-deoxy-beta-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione | C18H19N2O10P

1-{3,5-O-[(4-Carboxyphenyl)(phosphono)methylene]-2-deoxy-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC18H19N2O10P
  • Average mass454.325 Da
  • Monoisotopic mass454.077728 Da
  • ChemSpider ID35034802

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-{3,5-O-[(4-Carboxyphenyl)(phosphono)methylen]-2-desoxy-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{3,5-O-[(4-Carboxyphenyl)(phosphono)methylene]-2-deoxy-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{3,5-O-[(4-Carboxyphényl)(phosphono)méthylène]-2-désoxy-β-D-thréo-pentofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-{3,5-O-[(4-Carboxyphenyl)(Phosphono)methylidene]-2-Deoxy-β-D-Threo-Pentofuranosyl}-5-Methylpyrimidine-2,4(1h,3h)-Dione
2,4(1H,3H)-Pyrimidinedione, 1-[3,5-O-[(4-carboxyphenyl)phosphonomethylene]-2-deoxy-β-D-threo-pentofuranosyl]-5-methyl- [ACD/Index Name]
2E2

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -5.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 91.4±5.0 dyne/cm
Molar Volume: 265.8±5.0 cm3

Click to predict properties on the Chemicalize site


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