ChemSpider 2D Image | 2-{[(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}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-4-yl]oxy}acrylate | C20H26N3O19P2

2-{[(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}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-4-yl]oxy}acrylate

  • Molecular FormulaC20H26N3O19P2
  • Average mass674.378 Da
  • Monoisotopic mass674.065247 Da
  • ChemSpider ID26330908

  • Charge - Charge

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2-{[(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}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-4-yl]oxy}acrylat [German] [ACD/IUPAC Name]
2-{[(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}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-4-yl]oxy}acrylate [ACD/IUPAC Name]
2-{[(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}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxyméthyl)té trahydro-2H-pyran-4-yl]oxy}acrylate [French] [ACD/IUPAC Name]
UDP-N-acetyl-3-O-(1-carboxylatovinyl)-D-glucosamine trianion
UDP-N-acetyl-3-O-(1-carboxylatovinyl)-D-glucosamine(3-)
UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine
uridine 5'-{3-[2-acetamido-3-O-(1-carboxylatoethenyl)-2-deoxy-D-glucopyranosyl] diphosphate}
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion arising from deprotonation of diphosphate and carboxy groups of UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine; majo; r species at pH 7.3. ChEBI CHEBI:57771
      A nucleotide-sugar oxoanion arising from deprotonation of diphosphate and carboxy groups of UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine; major species at pH 7.3. ChEBI CHEBI:57771

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: 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: 355 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement