ChemSpider 2D Image | 5'-O-{[{[Difluoro(phosphono)methyl](hydroxy)phosphoryl}(difluoro)methyl](hydroxy)phosphoryl}thymidine | C12H17F4N2O12P3

5'-O-{[{[Difluoro(phosphono)methyl](hydroxy)phosphoryl}(difluoro)methyl](hydroxy)phosphoryl}thymidine

  • Molecular FormulaC12H17F4N2O12P3
  • Average mass550.185 Da
  • Monoisotopic mass549.993042 Da
  • ChemSpider ID25060058
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

5'-O-[(R)-{[(R)-[difluoro(Phosphono)methyl](Hydroxy)phosphoryl](Difluoro)methyl}(Hydroxy)phosphoryl]thymidine
5'-O-{[{[Difluor(phosphono)methyl](hydroxy)phosphoryl}(difluor)methyl](hydroxy)phosphoryl}thymidin [German] [ACD/IUPAC Name]
5'-O-{[{[Difluoro(phosphono)methyl](hydroxy)phosphoryl}(difluoro)methyl](hydroxy)phosphoryl}thymidine [ACD/IUPAC Name]
5'-O-{[{[Difluoro(phosphono)méthyl](hydroxy)phosphoryl}(difluoro)méthyl](hydroxy)phosphoryl}thymidine [French] [ACD/IUPAC Name]
Thymidine, 5'-O-[[[(difluorophosphonomethyl)hydroxyphosphinyl]difluoromethyl]hydroxyphosphinyl]- [ACD/Index Name]
TFF

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: 1.545
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -7.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 293.0±3.0 cm3

Click to predict properties on the Chemicalize site






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