ChemSpider 2D Image | [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,4R,6R)-4-hydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl] phosphate | C16H22N2O14P2

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

  • Molecular FormulaC16H22N2O14P2
  • Average mass528.299 Da
  • Monoisotopic mass528.055725 Da
  • ChemSpider ID34999478

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

dTDP-4-dehydro-2,6-dideoxy-&α
dTDP-4-dehydro-2,6-dideoxy-&α;-D-glucose
dTDP-4-dehydro-2,6-dideoxy-α-D-glucose
dTDP-4-dehydro-2,6-dideoxy-α-D-glucose(2-)
dTDP-4-oxo-2,6-dideoxy-&α;-D-glucose
-D-threo-hexopyranose
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose; major species at pH 7.3. ChEBI CHEBI:84537

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: 16
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.12
ACD/LogD (pH 5.5): -9.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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