ChemSpider 2D Image | 2-{[(3R,4R,5S,6R)-3-Acetamido-2-{[{[{[(2R,3S,4R)-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-(hyd roxymethyl)tetrahydro-2H-pyran-4-yl]oxy}acrylic acid | C20H29N3O19P2

2-{[(3R,4R,5S,6R)-3-Acetamido-2-{[{[{[(2R,3S,4R)-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-(hyd roxymethyl)tetrahydro-2H-pyran-4-yl]oxy}acrylic acid

  • Molecular FormulaC20H29N3O19P2
  • Average mass677.401 Da
  • Monoisotopic mass677.087036 Da
  • ChemSpider ID559207

  • defined stereocentres - 7 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)-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-(hyd roxymethyl)tetrahydro-2H-pyran-4-yl]oxy}acrylic acid [ACD/IUPAC Name]
2-{[(3R,4R,5S,6R)-3-Acetamido-2-{[{[{[(2R,3S,4R)-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-(hyd roxymethyl)tetrahydro-2H-pyran-4-yl]oxy}acrylsäure [German] [ACD/IUPAC Name]
Acide 2-{[(3R,4R,5S,6R)-3-acétamido-2-{[{[{[(2R,3S,4R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy- 6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}acrylique [French] [ACD/IUPAC Name]
70222-94-5 [RN]
EP-UDPGlCNAC
UdPGNAC-enolpyruvate
UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine
UDP-N-acetylglucosamine enolpyruvate
UNAGEP
Uridine 5'-(trihydrogen diphosphate), P'-[2-(acetylamino)-3-O-(1-carboxyethenyl)-2-deoxy-α-D-glucopyranosyl] ester
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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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