ChemSpider 2D Image | [(2R,3S,5R,6R)-3,5-dihydroxy-6-methyl-4-oxo-tetrahydropyran-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate | C16H22N2O15P2

[(2R,3S,5R,6R)-3,5-dihydroxy-6-methyl-4-oxo-tetrahydropyran-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate

  • Molecular FormulaC16H22N2O15P2
  • Average mass544.299 Da
  • Monoisotopic mass544.050659 Da
  • ChemSpider ID26333065

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

dTDP-3-dehydro-6-deoxy-α-D-glucose
dTDP-3-dehydro-6-deoxy-α-D-glucose(2-)
dTDP-3-keto-6-deoxy-α-D-glucose(2-)
dTDP-3-oxo-6-deoxy-α-D-glucose(2-)
thymidine 5'-[3-(6-deoxy-α-D-ribo-hexopyranosyl-3-ulose) diphosphate]
  • Miscellaneous

    • Chemical Class:

      A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-3-dehydro-6-deoxy-alpha-D-glucose. ChEBI CHEBI:63269

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.02
ACD/LogD (pH 5.5): -9.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement