Found 1 result

Search term: PFMVORMCVGOQKR-XNCOKRRHSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | (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}phosphinato)oxy]phosphinato}oxy)-5- hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-oate (non-preferred name) | C40H62N9O26P2

(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}phosphinato)oxy]phosphinato}oxy)-5- hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-oate (non-preferred name)

  • Molecular FormulaC40H62N9O26P2
  • Average mass1146.914 Da
  • Monoisotopic mass1146.329712 Da
  • ChemSpider ID34448470

  • Charge - Charge

    defined stereocentres - 15 of 15 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}phosphinato)oxy]phosphinato}oxy)-5- hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-oat (non-preferred name) [German] [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}phosphinato)oxy]phosphinato}oxy)-5- hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-oate (non-preferred name) [ACD/IUPAC Name]
(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}phosphinato)oxy]phosphinato}oxy)-5- hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-triméthyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicosan-1-oate (non-preferred name) [French] [ACD/IUPAC Name]
UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanyl-D-alaninate(3-)
UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanyl-D-alanine
  • Miscellaneous

    • Chemical Class:

      UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alaninate(3<m; inus/>) in which the anomeric centre of the pyranose fragment has alpha-configuration. ChEBI CHEBI:70758

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 35
#H bond donors: 17
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: -6.23
ACD/LogD (pH 5.5): -12.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 568 Å2
Polarizability:
Surface Tension:
Molar Volume:

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