ChemSpider 2D Image | (2R)-6-{[(2R)-2-{[(2S)-2-{[(2R)-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}phosphinato)oxy]phosphinato}ox y)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-2-ammoniohexanoate | C34H52N7O24P2

(2R)-6-{[(2R)-2-{[(2S)-2-{[(2R)-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}phosphinato)oxy]phosphinato}ox y)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-2-ammoniohexanoate

  • Molecular FormulaC34H52N7O24P2
  • Average mass1004.758 Da
  • Monoisotopic mass1004.255554 Da
  • ChemSpider ID26331346

  • Charge - Charge

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(2R)-6-{[(2R)-2-{[(2S)-2-{[(2R)-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}phosphinato)oxy]phosphinato}ox y)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-2-ammoniohexanoat [German] [ACD/IUPAC Name]
(2R)-6-{[(2R)-2-{[(2S)-2-{[(2R)-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}phosphinato)oxy]phosphinato}ox y)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-2-ammoniohexanoate [ACD/IUPAC Name]
(2R)-6-{[(2R)-2-{[(2S)-2-{[(2R)-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}phosphinato)oxy]phosphinato}ox y)-5-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-4-carboxylatobutanoyl]amino}-2-ammoniohexanoate [French] [ACD/IUPAC Name]
N(6)-(UDP-N-acetylmuramoyl-L-alanyl-D-α-glutamyl)-D-lysine
N(6)-(UDP-N-acetylmuramoyl-L-alanyl-D-α-glutamyl)-D-lysine(3-)
  • Miscellaneous

    • Chemical Class:

      Trianion of N(6)-(UDP-N-acetylmuramoyl-L-alanyl-D-alpha-glutamyl)-D-lysine. ChEBI CHEBI:58755
      Trianion of N6-(UDP-N-acetylmuramoyl-L-alanyl-D-alpha-glutamyl)-D-lysine. ChEBI CHEBI:58755

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 31
#H bond donors: 15
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -6.33
ACD/LogD (pH 5.5): -12.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 510 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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