ChemSpider 2D Image | 7-[(5-Amino-5-carboxypentanoyl)amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid | C14H21N3O7S

7-[(5-Amino-5-carboxypentanoyl)amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

  • Molecular FormulaC14H21N3O7S
  • Average mass375.397 Da
  • Monoisotopic mass375.110016 Da
  • ChemSpider ID28567359

More details:






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

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 7-[(5-amino-5-carboxy-1-oxopentyl)amino]-3-hydroxy-3-methyl-8-oxo- [ACD/Index Name]
7-[(5-Amino-5-carboxypentanoyl)amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-2-carbonsäure [German] [ACD/IUPAC Name]
7-[(5-Amino-5-carboxypentanoyl)amino]-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-[(5-amino-5-carboxypentanoyl)amino]-3-hydroxy-3-méthyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylique [French] [ACD/IUPAC Name]
83801-01-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 807.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.6±6.0 kJ/mol
Flash Point: 441.9±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -5.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 89.7±5.0 dyne/cm
Molar Volume: 236.7±5.0 cm3

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