ChemSpider 2D Image | 7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(2,2-dihydroxyvinyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxyl ic acid | C20H20N6O7S4

7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(2,2-dihydroxyvinyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxyl ic acid

  • Molecular FormulaC20H20N6O7S4
  • Average mass584.669 Da
  • Monoisotopic mass584.027649 Da
  • ChemSpider ID95685928

  • 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]-3-[[[5-(2,2-dihydroxyethenyl)-4-methyl-2-thiazolyl]thio]methyl]-8-hydrox y- [ACD/Index Name]
7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(2,2-dihydroxyvinyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-dien-2-carbonsäu re [German] [ACD/IUPAC Name]
7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(2,2-dihydroxyvinyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diene-2-carboxyl ic acid [ACD/IUPAC Name]
Acide 7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-3-({[5-(2,2-dihydroxyvinyl)-4-méthyl-1,3-thiazol-2-yl]sulfanyl}méthyl)-8-hydroxy-5-thia-1-azabicyclo[4.2.0]octa-2,7-diène-2-ca rboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.852
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 311 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 90.1±7.0 dyne/cm
Molar Volume: 312.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement