ChemSpider 2D Image | UDP-N-acetylglucosamine enolpyruvate | C20H29N3O19P2

UDP-N-acetylglucosamine enolpyruvate

  • Molecular FormulaC20H29N3O19P2
  • Average mass677.401 Da
  • Monoisotopic mass677.087036 Da
  • ChemSpider ID150725

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[{[{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy- 6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}acrylic acid [ACD/IUPAC Name]
2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[{[{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy- 6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}acrylsäure [German] [ACD/IUPAC Name]
70222-94-5 [RN]
Acide 2-{[(2R,3R,4R,5S,6R)-3-acétamido-2-{[{[{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hy droxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}acrylique [French] [ACD/IUPAC Name]
UDP-N-acetyl-3-O-(1-carboxyvinyl)-α-D-glucosamine
UDP-N-acetylglucosamine enolpyruvate
Enolpyruvyl-UDP-N-acetylglucosamine
ENOLPYRUVYL-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
EPU
EP-UDPGlCNAC
More...

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

C15223 [DBID]
  • Miscellaneous

    • Chemical Class:

      A UDP-<element>N</element>-acetyl-3-<element>O</element>-(1-carboxyvinyl)-<stereo>D</stereo>-glucosamine in which the anomeric centre of the glucosamine fragment has <stereo>alpha</stereo>-configurati on. ChEBI CHEBI:68507
      A UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine in which the anomeric centre of the glucosamine fragment has alpha-configurati; on. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68507
      A UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine in which the anomeric centre of the glucosamine fragment has alpha-configuration. ChEBI CHEBI:68507

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.69
ACD/LogD (pH 5.5): -10.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 103.7±5.0 dyne/cm
Molar Volume: 371.3±5.0 cm3

Click to predict properties on the Chemicalize site


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