ChemSpider 2D Image | (7R)-7-{[(2E)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{(E)-[(3'R)-2-oxo-1,3'-bipyrrolidin-3-ylidene]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C20H22N8O6S2

(7R)-7-{[(2E)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{(E)-[(3'R)-2-oxo-1,3'-bipyrrolidin-3-ylidene]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC20H22N8O6S2
  • Average mass534.569 Da
  • Monoisotopic mass534.110352 Da
  • ChemSpider ID74178093

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(7R)-7-{[(2E)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{(E)-[(3'R)-2-oxo-1,3'-bipyrrolidin-3-yliden]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(7R)-7-{[(2E)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{(E)-[(3'R)-2-oxo-1,3'-bipyrrolidin-3-ylidene]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, 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)-1-oxoethyl]amino]-8-oxo-3-[(E)-[(3'R)-2-oxo[1,3'-bipyrrolidin]-3-ylidene]methyl]-, (7 R)- [ACD/Index Name]
Acide (7R)-7-{[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acétyl]amino}-8-oxo-3-{(E)-[(3'R)-2-oxo-1,3'-bipyrrolidin-3-ylidène]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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.942
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -2.69
ACD/LogD (pH 5.5): -4.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 109.0±7.0 dyne/cm
Molar Volume: 266.1±7.0 cm3

Click to predict properties on the Chemicalize site


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