ChemSpider 2D Image | 1-{2-Deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylene]-beta-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione | C17H18IN2O8P

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

  • Molecular FormulaC17H18IN2O8P
  • Average mass536.212 Da
  • Monoisotopic mass535.984558 Da
  • ChemSpider ID35033327
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-{2-Deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylene]-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{2-Deoxy-3,5-O-[(4-Iodophenyl)(Phosphono)methylidene]-β-D-Threo-Pentofuranosyl}-5-Methylpyrimidine-2,4(1h,3h)-Dione
1-{2-Désoxy-3,5-O-[(4-iodophényl)(phosphono)méthylène]-β-D-thréo-pentofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-{2-Desoxy-3,5-O-[(4-iodphenyl)(phosphono)methylen]-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-3,5-O-[(4-iodophenyl)phosphonomethylene]-β-D-threo-pentofuranosyl]-5-methyl- [ACD/Index Name]
0BT

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 275.3±5.0 cm3

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