ChemSpider 2D Image | 7-[(5-Amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-3-[(sulfosulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C15H21N3O10S3

7-[(5-Amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-3-[(sulfosulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC15H21N3O10S3
  • Average mass499.536 Da
  • Monoisotopic mass499.038910 Da
  • ChemSpider ID26504527

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-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-3-[(sulfothio)methyl]- [ACD/Index Name]
7-[(5-Amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-3-[(sulfosulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
7-[(5-Amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-3-[(sulfosulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-[(5-amino-5-carboxypentanoyl)amino]-7-méthoxy-8-oxo-3-[(sulfosulfanyl)méthyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
6345-85-3 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.701
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -5.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 283.5±5.0 cm3

Click to predict properties on the Chemicalize site


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