ChemSpider 2D Image | 7-Hydroxy-3-({2-[(1-hydroxyvinyl)amino]ethyl}sulfinyl)-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hepta-2,6-diene-2-carboxylic acid | C14H20N2O9S2

7-Hydroxy-3-({2-[(1-hydroxyvinyl)amino]ethyl}sulfinyl)-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hepta-2,6-diene-2-carboxylic acid

  • Molecular FormulaC14H20N2O9S2
  • Average mass424.447 Da
  • Monoisotopic mass424.061035 Da
  • ChemSpider ID95728253

More details:

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

1-Azabicyclo[3.2.0]hepta-2,6-diene-2-carboxylic acid, 7-hydroxy-3-[[2-[(1-hydroxyethenyl)amino]ethyl]sulfinyl]-6-[1-methyl-1-(sulfooxy)ethyl]- [ACD/Index Name]
7-Hydroxy-3-({2-[(1-hydroxyvinyl)amino]ethyl}sulfinyl)-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hepta-2,6-dien-2-carbonsäure [German] [ACD/IUPAC Name]
7-Hydroxy-3-({2-[(1-hydroxyvinyl)amino]ethyl}sulfinyl)-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hepta-2,6-diene-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-hydroxy-3-({2-[(1-hydroxyvinyl)amino]éthyl}sulfinyl)-6-[2-(sulfooxy)-2-propanyl]-1-azabicyclo[3.2.0]hepta-2,6-diène-2-carboxylique [French] [ACD/IUPAC Name]

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: 1.714
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -5.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 106.2±5.0 dyne/cm
Molar Volume: 240.6±5.0 cm3

Click to predict properties on the Chemicalize site


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