ChemSpider 2D Image | (2R)-2-Ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate | C23H23N4O9

(2R)-2-Ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate

  • Molecular FormulaC23H23N4O9
  • Average mass499.451 Da
  • Monoisotopic mass499.147064 Da
  • ChemSpider ID26331095

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-Ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoat [German] [ACD/IUPAC Name]
(2R)-2-Ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate [ACD/IUPAC Name]
(2R)-2-Ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphényl)méthyl]-2-oxo-3-azétidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phénoxy}butanoate [French] [ACD/IUPAC Name]
D-Homoserine, O-[4-[(1Z)-2-[[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl]amino]-1-(hydroxyimino)-2-oxoethyl]phenyl]-, inner salt, ion(1-) [ACD/Index Name]
(2R)-2-azaniumyl-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate
nocardicin A
nocardicin A anion
nocardicin A(1-)
  • Miscellaneous

    • Chemical Class:

      An alpha-amino-acid anion that is the conjugate base of nocardicin A, arising from deprotonation of the carboxy groups and protonation of the amino group. ChEBI CHEBI:58244

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: 13
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability:
Surface Tension:
Molar Volume:

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