ChemSpider 2D Image | Isonocardicin C | C23H26N4O8

Isonocardicin C

  • Molecular FormulaC23H26N4O8
  • Average mass486.474 Da
  • Monoisotopic mass486.175049 Da
  • ChemSpider ID30791685

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Isonocardicin C
isonocardicin C dizwitterion
L-Homoserine, O-[4-[(1R)-1-amino-2-[[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl]amino]-2-oxoethyl]phenyl]- [ACD/Index Name]
O-{4-[(1R)-1-Amino-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-2-oxoethyl]phenyl}-L-homoserin [German] [ACD/IUPAC Name]
O-{4-[(1R)-1-Amino-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxo-3-azetidinyl}amino)-2-oxoethyl]phenyl}-L-homoserine [ACD/IUPAC Name]
O-{4-[(1R)-1-Amino-2-({(3S)-1-[(R)-carboxy(4-hydroxyphényl)méthyl]-2-oxo-3-azétidinyl}amino)-2-oxoéthyl]phényl}-L-homosérine [French] [ACD/IUPAC Name]
(2S)-2-amino-4-{4-[(R)-amino({[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl})methyl]phenoxy}butanoate
(2S)-2-azaniumyl-4-{4-[(1R)-1-azaniumyl-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-2-oxoethyl]phenoxy}butanoate
O-{4-[(1R)-1-amino-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-2-oxoethyl]phenyl}-L-homoserine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 925.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.0±3.0 kJ/mol
Flash Point: 513.5±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 121.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -3.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 90.5±5.0 dyne/cm
Molar Volume: 318.7±5.0 cm3

Click to predict properties on the Chemicalize site


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