ChemSpider 2D Image | (2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(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}phosphinato)oxy]phosphin
ato}oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-6-ammonioheptanedioate (non-preferred name) | C35H51N7O26P2

(2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(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}phosphinato)oxy]phosphin ato}oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-6-ammonioheptanedioate (non-preferred name)

  • Molecular FormulaC35H51N7O26P2
  • Average mass1047.760 Da
  • Monoisotopic mass1047.238037 Da
  • ChemSpider ID34448900
  • Charge - Charge

    defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(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}phosphinato)oxy]phosphin ato}oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-6-ammonioheptandioat (non-preferred name) [German] [ACD/IUPAC Name]
(2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(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}phosphinato)oxy]phosphin ato}oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-6-ammonioheptanedioate (non-preferred name) [ACD/IUPAC Name]
(2S,6R)-2-{[(4R)-4-{[(2S)-2-{[(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}phosphinato)oxy]phosphin ato}oxy)-5-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-6-ammonioheptanedioate (non-preferred name) [French] [ACD/IUPAC Name]
UDP-N-acetyl-α-D-muramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminoheptanedioate(4-)
UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-diaminopimelate
  • Miscellaneous
    • Chemical Class:

      A UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate(4-) in which the muramoyl m; oiety has alpha-configuratijon at its anomeric centre; major species at pH 7.3 ChEBI CHEBI:83905

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: 33
#H bond donors: 16
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -6.67
ACD/LogD (pH 5.5): -13.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 550 Å2
Polarizability:
Surface Tension:
Molar Volume:

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