ChemSpider 2D Image | (6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-3-carboxy-3-(3-hydroxy-4-oxo-1(4H)-pyridinyl)propoxy]imino}acetyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2. 0]oct-2-ene-2-carboxylic acid | C24H22N8O9S4

(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-3-carboxy-3-(3-hydroxy-4-oxo-1(4H)-pyridinyl)propoxy]imino}acetyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2. 0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC24H22N8O9S4
  • Average mass694.740 Da
  • Monoisotopic mass694.039246 Da
  • ChemSpider ID7852671

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-3-carboxy-3-(3-hydroxy-4-oxo-1(4H)-pyridinyl)propoxy]imino}acetyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2. 0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-3-carboxy-3-(3-hydroxy-4-oxo-1(4H)-pyridinyl)propoxy]imino}acetyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)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-(2-amino-4-thiazolyl)-2-[[(3S)-3-carboxy-3-(3-hydroxy-4-oxo-1(4H)-pyridinyl)propoxy]imino]-1-oxoethyl]amino]-8-oxo-3-[(1,2,3-thiadiazo l-5-ylthio)methyl]-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(3S)-3-carboxy-3-(3-hydroxy-4-oxo-1(4H)-pyridinyl)propoxy]imino}acétyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)méthyl]-5-thia-1-azabicycl o[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
133162-45-5 [RN]
7-(-2-(2-aminothiazol-4-yl)-2-(3-(3-hydroxy-4-pyridon-1-yl)-3-carboxypropoxyimino)acetamido)-3-(1,2,
7-(-2-(2-Aminothiazol-4-yl)-2-(3-(3-hydroxy-4-pyridon-1-yl)-3-carboxypropoxyimino)acetamido)-3-(1,2,3-thiadiazol-5-yl)-thiomethyl-3-cephem-4-carboxylic acid
7-Acttcc

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: 1.881
Molar Refractivity: 165.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 358 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 101.9±7.0 dyne/cm
Molar Volume: 360.0±7.0 cm3

Click to predict properties on the Chemicalize site


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