ChemSpider 2D Image | UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine | C41H65N9O28P2

UDP-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine

  • Molecular FormulaC41H65N9O28P2
  • Average mass1193.946 Da
  • Monoisotopic mass1193.341431 Da
  • ChemSpider ID17218902

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2R,5R,8S,13R,16S,19R)-19-{[(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)ph osphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-[(4R)-4-amino-4-carboxybutyl]-13-carboxy-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-oic acid (non-pref erred name) [ACD/IUPAC Name]
(2R,5R,8S,13R,16S,19R)-19-{[(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)ph osphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-[(4R)-4-amino-4-carboxybutyl]-13-carboxy-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-säure (non-preferr ed name) [German] [ACD/IUPAC Name]
Acide (2R,5R,8S,13R,16S,19R)-19-{[(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}(hydr oxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}-8-[(4R)-4-amino-4-carboxybutyl]-13-carboxy-2,5,16-triméthyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-oïque (non-p referred name) [French] [ACD/IUPAC Name]
UDP-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
UDP-Mur2Ac-L-Ala-γ-D-Glu-A2pm-D-Ala-D-Ala
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine
  • Miscellaneous

    • Chemical Class:

      UDP-glycopeptide having <element>N</element>-acetylmuramoyl as the glyco portion and <stereo>L</stereo>-alanyl-<locant>gamma</locant>-<stereo>D</stereo>-glutamyl-<stereo>meso</stereo>-2,6-diaminopimel oyl-<stereo>D</stereo>-alanyl-<stereo>D</stereo>-alanine as the peptide portion (attached via an amide bond between the amino terminus and the muramoyl carboxy group). ChEBI CHEBI:18199
      UDP-glycopeptide having N-acetylmuramoyl as the glyco portion and L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimel; oyl-D-alanyl-D-alanine as the peptide portion (attached via an amide bond between the amino terminus and the muramoyl carboxy group). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18199
      UDP-glycopeptide having N-acetylmuramoyl as the glyco portion and L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine as the peptide portion (attached via an amide bond between the a mino terminus and the muramoyl carboxy group). ChEBI CHEBI:18199

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: 1.627
Molar Refractivity: 257.4±0.4 cm3
#H bond acceptors: 37
#H bond donors: 18
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: -6.78
ACD/LogD (pH 5.5): -14.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 592 Å2
Polarizability: 102.1±0.5 10-24cm3
Surface Tension: 95.1±5.0 dyne/cm
Molar Volume: 726.3±5.0 cm3

Click to predict properties on the Chemicalize site


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