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

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

  • Molecular FormulaC16H22N2O15P2
  • Average mass544.299 Da
  • Monoisotopic mass544.050659 Da
  • ChemSpider ID58145498
  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

TDP-3-keto-4,6-dideoxyglucose(2-)
TDP-actinospectose(2-)
  • Miscellaneous
    • Chemical Class:

      A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of TDP-actinospectose; major species at pH 7.3. ChEBI CHEBI:86408

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: -3.76
ACD/LogD (pH 5.5): -8.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability:
Surface Tension:
Molar Volume:

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