ChemSpider 2D Image | URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID | C20H31FN3O23P3

URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID

  • Molecular FormulaC20H31FN3O23P3
  • Average mass793.386 Da
  • Monoisotopic mass793.054504 Da
  • ChemSpider ID392129
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(R)-{[(S)-{[(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]ox y}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-3-fluor-2-(phosphonooxy)propansäure [German] [ACD/IUPAC Name]
(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-{[(R)-{[(S)-{[(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]ox y}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-3-fluoro-2-(phosphonooxy)propanoic acid [ACD/IUPAC Name]
Acide (2R)-2-{[(2R,3R,4R,5S,6R)-3-acétamido-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phospho ryl]oxy}-5-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}-3-fluoro-2-(phosphonooxy)propanoïque [French] [ACD/IUPAC Name]
URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID
TET

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 26
#H bond donors: 11
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -4.57
ACD/LogD (pH 5.5): -12.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 423 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 114.5±5.0 dyne/cm
Molar Volume: 406.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement