ChemSpider 2D Image | [(2R,3R,4S,5S,6R)-5-azaniumyl-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 | C16H26N3O14P2

[(2R,3R,4S,5S,6R)-5-azaniumyl-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 FormulaC16H26N3O14P2
  • Average mass546.337 Da
  • Monoisotopic mass546.089539 Da
  • ChemSpider ID28533208
  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

thymidine 5'-[3-(4-azaniumyl-4,6-dideoxy-α-D-glucopyranosyl) diphosphate]
  • Miscellaneous
    • Chemical Class:

      A dTDP-4-amino-4,6-dideoxy-D-glucose(1-) in which the anomeric centre of the pyranose fragment has alpha-configuration. ChEBI CHEBI:68501

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.98
ACD/LogD (pH 5.5): -8.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Surface Tension:
Molar Volume:

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