ChemSpider 2D Image | 7-[(5-Carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C14H18N2O8S

7-[(5-Carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC14H18N2O8S
  • Average mass374.366 Da
  • Monoisotopic mass374.078400 Da
  • ChemSpider ID26502988

More details:






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

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(5-carboxy-5-hydroxy-1-oxopentyl)amino]-3-(hydroxymethyl)-8-oxo- [ACD/Index Name]
7-[(5-Carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
7-[(5-Carboxy-5-hydroxypentanoyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-[(5-carboxy-5-hydroxypentanoyl)amino]-3-(hydroxyméthyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
91776-95-3 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 900.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.6±6.0 kJ/mol
Flash Point: 498.3±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -5.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 98.9±5.0 dyne/cm
Molar Volume: 222.5±5.0 cm3

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