ChemSpider 2D Image | (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}oxy)-5-hydroxy-6-(hy droxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoate | C23H33N4O20P2

(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}oxy)-5-hydroxy-6-(hy droxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoate

  • Molecular FormulaC23H33N4O20P2
  • Average mass747.472 Da
  • Monoisotopic mass747.117981 Da
  • ChemSpider ID26330980

  • Charge - Charge

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(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}oxy)-5-hydroxy-6-(hy droxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoat [German] [ACD/IUPAC Name]
(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}oxy)-5-hydroxy-6-(hy droxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoate [ACD/IUPAC Name]
(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}oxy)-5-hydroxy-6-(hy droxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoate [French] [ACD/IUPAC Name]
UDP-N-acetylmuramoyl-L-alaninate trianion
UDP-N-acetylmuramoyl-L-alaninate(3-)
UDP-N-acetylmuramoyl-L-alanine
  • Miscellaneous

    • Chemical Class:

      Trianion of UDP-N-acetylmuramoyl-L-alanine arising from deprotonation of diphosphate and alanine carboxy groups; major species at pH 7.3. ChEBI CHEBI:57953

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: 24
#H bond donors: 10
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -5.03
ACD/LogD (pH 5.5): -11.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 384 Å2
Polarizability:
Surface Tension:
Molar Volume:

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