ChemSpider 2D Image | (7E)-8-Hydroxy-7-{[(Z)-1-hydroxy-2-(1H-tetrazol-1-yl)vinyl]imino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C14H14N8O4S3

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

  • Molecular FormulaC14H14N8O4S3
  • Average mass454.507 Da
  • Monoisotopic mass454.029999 Da
  • ChemSpider ID95734998

  • 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-(1H-tetrazol-1-yl)vinyl]imino}-3-{[(5-methyl-1,3,4-thiadiazol-2-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-(1H-tetrazol-1-yl)vinyl]imino}-3-{[(5-methyl-1,3,4-thiadiazol-2-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-(1H-tetrazol-1-yl)ethenyl]imino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-, (7E)- [ACD/Index Name]
Acide (7E)-8-hydroxy-7-{[(Z)-1-hydroxy-2-(1H-tétrazol-1-yl)vinyl]imino}-3-{[(5-méthyl-1,3,4-thiadiazol-2-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: 2.0±0.1 g/cm3
Boiling Point: 797.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 436.4±35.7 °C
Index of Refraction: 1.961
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.00
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 107.7±7.0 dyne/cm
Molar Volume: 225.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement