ChemSpider 2D Image | (7E)-8-Hydroxy-7-{[(Z)-1-hydroxy-2-{[(4-hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)vinyl]imino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene -2-carboxylic acid | C25H24N8O7S2

(7E)-8-Hydroxy-7-{[(Z)-1-hydroxy-2-{[(4-hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)vinyl]imino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene -2-carboxylic acid

  • Molecular FormulaC25H24N8O7S2
  • Average mass612.638 Da
  • Monoisotopic mass612.120911 Da
  • ChemSpider ID95691449

  • Double-bond stereo - Double-bond stereo

More details:

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

(7E)-8-Hydroxy-7-{[(Z)-1-hydroxy-2-{[(4-hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)vinyl]imino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-en- 2-carbonsäure [German] [ACD/IUPAC Name]
(7E)-8-Hydroxy-7-{[(Z)-1-hydroxy-2-{[(4-hydroxy-6-methyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphenyl)vinyl]imino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene -2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-hydroxy-7-[[(Z)-1-hydroxy-2-[[(4-hydroxy-6-methyl-3-pyridinyl)carbonyl]amino]-2-(4-hydroxyphenyl)ethenyl]imino]-3-[[(1-methyl-1H-tetrazol-5-yl) thio]methyl]-, (7E)- [ACD/Index Name]
Acide (7E)-8-hydroxy-7-{[(Z)-1-hydroxy-2-{[(4-hydroxy-6-méthyl-3-pyridinyl)carbonyl]amino}-2-(4-hydroxyphényl)vinyl]imino}-3-{[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]méthyl}-5-thia-1-azabicyclo[4.2.0]oct -2-ène-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: 1.822
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 83.2±7.0 dyne/cm
Molar Volume: 349.7±7.0 cm3

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