ChemSpider 2D Image | 5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-Dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine | C17H28N2O13P2

5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-Dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine

  • Molecular FormulaC17H28N2O13P2
  • Average mass530.357 Da
  • Monoisotopic mass530.106689 Da
  • ChemSpider ID35035263
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

2'-Deoxy-5'-O-[(R)-{[(R)-{[(1s,3r,4r,5s)-3,4-Dihydroxy-5-Methylcyclohexyl]oxy}(Hydroxy)phosphoryl]oxy}(Hydroxy)phosphoryl]-3,4-Dihydrothymidine
5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-Dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidin [German] [ACD/IUPAC Name]
5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-Dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine [ACD/IUPAC Name]
5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-Dihydroxy-5-méthylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine [French] [ACD/IUPAC Name]
Thymidine, 5'-O-[(R)-[[(R)-[[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
3R2

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.49
ACD/LogD (pH 5.5): -8.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 319.4±5.0 cm3

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