ChemSpider 2D Image | 7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-hydroxy-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2- carboxylic acid | C18H18N8O7S3

7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-hydroxy-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2- carboxylic acid

  • Molecular FormulaC18H18N8O7S3
  • Average mass554.580 Da
  • Monoisotopic mass554.046082 Da
  • ChemSpider ID95790285

  • Double-bond stereo - Double-bond stereo

More details:

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

5-Thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-8-hydroxy-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl) thio]methyl]- [ACD/Index Name]
7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-hydroxy-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]octa-2,7-dien-2-c arbonsäure [German] [ACD/IUPAC Name]
7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-hydroxy-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2- carboxylic acid [ACD/IUPAC Name]
Acide 7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-8-hydroxy-3-{[(2-méthyl-5,6-dioxo-1,2,5,6-tétrahydro-1,2,4-triazin-3-yl)sulfanyl]méthyl}-5-thia-1-azabicyclo[4.2.0]octa-2,7-di ène-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.889
Molar Refractivity: 130.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 100.1±7.0 dyne/cm
Molar Volume: 281.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement