ChemSpider 2D Image | [(3R,4S,5S,6R)-5-acetamido-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate | C18H27N3O15P2

[(3R,4S,5S,6R)-5-acetamido-3,4-dihydroxy-6-methyl-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 FormulaC18H27N3O15P2
  • Average mass587.367 Da
  • Monoisotopic mass587.092834 Da
  • ChemSpider ID26332210

  • Charge - Charge

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

dTDP-4-acetamido-4,6-dideoxy-D-glucose
dTDP-4-acetamido-4,6-dideoxy-D-glucose dianion
dTDP-4-acetamido-4,6-dideoxy-D-glucose(2-)
thymidine 5'-{3-[4-acetamido-4,6-dideoxy-D-glucopyranosyl] diphosphate}
  • Miscellaneous

    • Chemical Class:

      A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-4-acetamido-4,6-dideoxy-D-glucose. ChEBI CHEBI:61383

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: 18
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.38
ACD/LogD (pH 5.5): -9.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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