ChemSpider 2D Image | [(3R,4S,5S)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate | C16H24N2O15P2

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

  • Molecular FormulaC16H24N2O15P2
  • Average mass546.315 Da
  • Monoisotopic mass546.066284 Da
  • ChemSpider ID26330857

  • Charge - Charge

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

dTDP-L-dihydrostreptose
dTDP-L-dihydrostreptose anion
dTDP-L-dihydrostreptose(2-)
thymidine 5'-{3-[5-deoxy-3-C-(hydroxymethyl)-L-lyxofuranosyl] diphosphate}
  • Miscellaneous

    • Chemical Class:

      Dianion of dTDP-L-dihydrostreptose arising from deprotonation of both free diphosphate OH groups. ChEBI CHEBI:57631

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: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.91
ACD/LogD (pH 5.5): -9.25
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: 276 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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