ChemSpider 2D Image | [(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3-hydroxytetradecanoyloxy)tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate | C31H51N3O19P2

[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3-hydroxytetradecanoyloxy)tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate

  • Molecular FormulaC31H51N3O19P2
  • Average mass831.694 Da
  • Monoisotopic mass831.260315 Da
  • ChemSpider ID26331236

  • Charge - Charge

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine
UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-β-glucosamine(2-)
uridine 5'-{3-[2-acetamido-2-deoxy-3-O-(3-hydroxytetradecanoyl)-β-D-glucopyranosyl] diphosphate}
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-beta-glucosamine. ChEBI CHEBI:58551

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: 22
#H bond donors: 9
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -6.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 352 Å2
Polarizability:
Surface Tension:
Molar Volume:

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