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

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

  • Molecular FormulaC18H27N3O15P2
  • Average mass587.367 Da
  • Monoisotopic mass587.092834 Da
  • ChemSpider ID30786176

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-β-L-arabino-hexopyranose
dTDP-β-L-evernitrose
dTDP-β-L-evernitrose(2-)
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-beta-L-evernitrose; major species at pH 7.3. ChEBI CHEBI:77141

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: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.14
ACD/LogD (pH 5.5): -7.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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