ChemSpider 2D Image | (2S)-2-{[4-({(2S)-2-[(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}(hydroxy)phosphoryl]oxy}(hydroxy)phospho ryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-4-carboxybutanoyl]amino}-6-aminohexanoic acid | C34H55N7O24P2

(2S)-2-{[4-({(2S)-2-[(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}(hydroxy)phosphoryl]oxy}(hydroxy)phospho ryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-4-carboxybutanoyl]amino}-6-aminohexanoic acid

  • Molecular FormulaC34H55N7O24P2
  • Average mass1007.781 Da
  • Monoisotopic mass1007.277344 Da
  • ChemSpider ID4575364

  • defined stereocentres - 10 of 13 defined stereocentres

More details:

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

(2S)-2-{[4-({(2S)-2-[(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}(hydroxy)phosphoryl]oxy}(hydroxy)phospho ryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-4-carboxybutanoyl]amino}-6-aminohexanoic acid [ACD/IUPAC Name]
(2S)-2-{[4-({(2S)-2-[(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}(hydroxy)phosphoryl]oxy}(hydroxy)phospho ryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-4-carboxybutanoyl]amino}-6-aminohexansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-{[4-({(2S)-2-[(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}(hydroxy)phosphoryl]oxy}(hydroxy)p hosphoryl]oxy}-5-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoyl)amino]propanoyl}amino)-4-carboxybutanoyl]amino}-6-aminohexanoïque [French] [ACD/IUPAC Name]
UDPMurAc(oyl-L-Ala-D-γ-Glu-L-Lys)
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine
UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysine
UDP-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-L-lysine
uridine 5'-(3-{2-acetamido-3-O-[1-({(2S)-1-[(4-{[(1S)-5-amino-1-carboxypentyl]amino}-1-carboxy-4-oxobutyl)amino]-1-oxopropan-2-yl}amino)-1-oxopropan-2-yl]-2-deoxy-D-glucopyranosyl} dihydrogen diphosph
uridine 5'-(3-{2-acetamido-3-O-[1-({(2S)-1-[(4-{[(1S)-5-amino-1-carboxypentyl]amino}-1-carboxy-4-oxobutyl)amino]-1-oxopropan-2-yl}amino)-1-oxopropan-2-yl]-2-deoxy-D-glucopyranosyl} dihydrogen diphosphate)

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

C05892 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 215.9±0.4 cm3
#H bond acceptors: 31
#H bond donors: 15
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -6.12
ACD/LogD (pH 5.5): -12.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 497 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 94.1±5.0 dyne/cm
Molar Volume: 611.5±5.0 cm3

Click to predict properties on the Chemicalize site


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