ChemSpider 2D Image | [(2S,3R,4S,6R)-3,4-dihydroxy-6-methyl-5-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

[(2S,3R,4S,6R)-3,4-dihydroxy-6-methyl-5-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 ID30785599

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

dTDP-4-dehydro-6-deoxy-β-D-allose
dTDP-4-dehydro-6-deoxy-β-D-gulose(2-)
thymidine 5'-[3-(4-dehydro-6-deoxy-β-D-gulopyranosyl) diphosphate]
thymidine 5'-[3-(6-deoxy-β-D-ribo-hexopyranos-4-ulosyl) diphosphate]
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-4-dehydro-6-deoxy-beta-D-gulose. ChEBI CHEBI:74145

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: -3.65
ACD/LogD (pH 5.5): -9.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.18
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


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