ChemSpider 2D Image | [(2R,3R,4R,5R,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] phosphate | C17H24N3O20P3

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

  • Molecular FormulaC17H24N3O20P3
  • Average mass683.304 Da
  • Monoisotopic mass683.018799 Da
  • ChemSpider ID28184623
  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

-D-glucosamine 3'-phosphate
UDP-<i>N</i>-acetyl-&α
UDP-<i>N</i>-acetyl-&α;-D-glucosamine 3-phosphate
UDP-N-acetyl-D-glucosamine 3'-phosphate
UDP-N-acetyl-α-D-glucosamine 3'-phosphate
UDP-N-acetyl-α-D-glucosamine 3-phosphate(4-)
UNAG-3P
  • Miscellaneous
    • Chemical Class:

      A quadruply-charged nucleotide-sugar oxoanion obtained via deprotonation of the phosphate and diphosphate OH groups of UDP-N-acetyl-alpha-D-glucosa; mine 3-phosphate; major species at pH 7.3. ChEBI CHEBI:64353
      A quadruply-charged nucleotide-sugar oxoanion obtained via deprotonation of the phosphate and diphosphate OH groups of UDP-N-acetyl-alpha-D-glucosamine 3-phosphate; major species at pH 7.3. ChEBI CHEBI:64353

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: 23
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -6.05
ACD/LogD (pH 5.5): -12.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 388 Å2
Polarizability:
Surface Tension:
Molar Volume:

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