ChemSpider 2D Image | dTDP 1-ester with (6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran | C16H22N2O14P2

dTDP 1-ester with (6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran

  • Molecular FormulaC16H22N2O14P2
  • Average mass528.298 Da
  • Monoisotopic mass528.054626 Da
  • ChemSpider ID30791114

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-{Hydroxy[(hydroxy{[(2R,6S)-4-hydroxy-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]oxy}phosphoryl)oxy]phosphoryl}thymidin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[(2R,6S)-4-hydroxy-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]oxy}phosphoryl)oxy]phosphoryl}thymidine [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[(2R,6S)-4-hydroxy-6-méthyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]oxy}phosphoryl)oxy]phosphoryl}thymidine [French] [ACD/IUPAC Name]
dTDP 1-ester with (6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran
Thymidine, 5'-O-[[[[[(2R,6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran-2-yl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.15
ACD/LogD (pH 5.5): -8.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 88.6±5.0 dyne/cm
Molar Volume: 300.7±5.0 cm3

Click to predict properties on the Chemicalize site


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