ChemSpider 2D Image | UDP-N-acetyl-alpha-D-muramic acid | C20H31N3O19P2

UDP-N-acetyl-α-D-muramic acid

  • Molecular FormulaC20H31N3O19P2
  • Average mass679.416 Da
  • Monoisotopic mass679.102722 Da
  • ChemSpider ID9182101

  • 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-{[{[{[(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-hyd roxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid [ACD/IUPAC Name]
(2R)-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-hyd roxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propansäure [German] [ACD/IUPAC Name]
Acide (2R)-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-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoïque [French] [ACD/IUPAC Name]
UDP-N-acetyl-α-D-muramic acid
(2r)-2-{[(2r,3r,4r,5s,6r)-3-(Acetylamino)-2-{[(S)-{[(R)-{[(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methoxy}(Hydroxy)phosphoryl]oxy}(Hydroxy)phosphoryl]oxy}-5-Hydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-4-Yl]oxy}propanoic Acid
EPU
EPZ
UDP-MurNAc
UDP-N-acetylmuramic acid
uridine 5'-(3-{2-acetylamino-3-O-[(R)-1-carboxyethyl]-2-deoxy-α-D-glucopyranosyl} dihydrogen diphosphate)
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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: 1.633
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -5.07
ACD/LogD (pH 5.5): -11.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 102.0±5.0 dyne/cm
Molar Volume: 376.7±5.0 cm3

Click to predict properties on the Chemicalize site


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