ChemSpider 2D Image | 2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(R)-{[(R)-{[(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}butanoic acid | C21H33N3O19P2

2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(R)-{[(R)-{[(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}butanoic acid

  • Molecular FormulaC21H33N3O19P2
  • Average mass693.443 Da
  • Monoisotopic mass693.118347 Da
  • ChemSpider ID4450376
  • defined stereocentres - 9 of 10 defined stereocentres


More details:






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

2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(R)-{[(R)-{[(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}butanoic acid [ACD/IUPAC Name]
2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(R)-{[(R)-{[(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}butansäure [German] [ACD/IUPAC Name]
Acide 2-{[(2R,3R,4R,5S,6R)-3-acétamido-2-{[(R)-{[(R)-{[(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]o xy}-5-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}butanoïque [French] [ACD/IUPAC Name]
EEB
URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOSAMINYL)BUTYRIC ACID

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -4.54
ACD/LogD (pH 5.5): -10.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 98.5±5.0 dyne/cm
Molar Volume: 392.8±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement