ChemSpider 2D Image | nocardicin A | C23H24N4O9

nocardicin A

  • Molecular FormulaC23H24N4O9
  • Average mass500.458 Da
  • Monoisotopic mass500.154327 Da
  • ChemSpider ID4925179
  • 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

nocardicin A [REDIRECT]
[3S-[1(S*),3R*[E(S*)]]]-3-[[[4-(3-Amino-3-carboxypropoxy)phenyl](hydroxyimino)acetyl]amino]-a-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic Acid
D-Homoserine, O-[4-[(1E)-2-[[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl]amino]-1-(hydroxyimino)-2-oxoethyl]phenyl]- [ACD/Index Name]
O-{4-[(1E)-2-({(3S)-1-[(R)-Carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenyl}-D-homoserin [German] [ACD/IUPAC Name]
O-{4-[(1E)-2-({(3S)-1-[(R)-Carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phenyl}-D-homoserine [ACD/IUPAC Name]
O-{4-[(1E)-2-({(3S)-1-[(R)-Carboxy(4-hydroxyphényl)méthyl]-2-oxo-3-azétidinyl}amino)-N-hydroxy-2-oxoethanimidoyl]phényl}-D-homosérine [French] [ACD/IUPAC Name]
(2R)-2-amino-4-[4-[(1E)-2-[[(3S)-1-[(1R)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]-2-oxo-3-azetidinyl]amino]-1-hydroxyimino-2-oxoethyl]phenoxy]butanoic acid
1-Azetidineacetic acid, 3-(((4-(3-amino-3-carboxypropoxy)phenyl)(hydroxyimino)acetyl)amino)-α-(4-hydroxyphenyl)-2-oxo-, (3S-(1(S*),3R*(E(S*))))-
1-Azetidineacetic acid, 3-(((4-(3-amino-3-carboxypropoxy)phenyl)(hydroxyimino)acetyl)amino)-α-(4-hydroxyphenyl)-2-oxo-, (3S-(1(S*),3R*(Z(S*))))-
39391-39-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 3599648 [DBID]
FR-2458 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 121.1±0.5 cm3
#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): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 318.5±7.0 cm3

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