ChemSpider 2D Image | [(2R,3R,4S,5R,6R)-4-(dimethylammonio)-3,5-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 | C18H30N3O14P2

[(2R,3R,4S,5R,6R)-4-(dimethylammonio)-3,5-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 FormulaC18H30N3O14P2
  • Average mass574.391 Da
  • Monoisotopic mass574.120850 Da
  • ChemSpider ID26333088

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

dTDP-D-ravidosamine
dTDP-D-ravidosamine(1-)
thymidine 5'-{3-[3,6-dideoxy-3-(dimethylazaniumyl)-α-D-galactopyranosyl] diphosphate}
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion that is the conjugate base of dTDP-D-ravidosamine arising from deprotonation of the diphosphate OH groups and protonation of the tertiary amino group; majo; r microspecies at pH 7.3. ChEBI CHEBI:63304
      A nucleotide-sugar oxoanion that is the conjugate base of dTDP-D-ravidosamine arising from deprotonation of the diphosphate OH groups and protonation of the tertiary amino group; major microspecies at pH 7.3. ChEBI CHEBI:63304

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: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.59
ACD/LogD (pH 5.5): -7.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 261 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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