ChemSpider 2D Image | (6R,7R)-7-({(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-3-[(E)-{[(E)-imino(1-piperazinyl)methyl](methyl)hydrazono}methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-c
arboxylic acid | C19H24FN11O5S2

(6R,7R)-7-({(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-3-[(E)-{[(E)-imino(1-piperazinyl)methyl](methyl)hydrazono}methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-c arboxylic acid

  • Molecular FormulaC19H24FN11O5S2
  • Average mass569.593 Da
  • Monoisotopic mass569.138733 Da
  • ChemSpider ID7984703
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6R,7R)-7-({(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(fluormethoxy)imino]acetyl}amino)-3-[(E)-{[(E)-imino(1-piperazinyl)methyl](methyl)hydrazono}methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-car bonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-({(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-3-[(E)-{[(E)-imino(1-piperazinyl)methyl](methyl)hydrazono}methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-c arboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]-1-oxoethyl]amino]-3-[(E)-[2-[(E)-imino-1-piperazinylmethyl]-2-methylhydraziny lidene]methyl]-8-oxo-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluorométhoxy)imino]acétyl}amino)-3-[(E)-{[(E)-imino(1-pipérazinyl)méthyl](méthyl)hydrazono}méthyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-è ne-2-carboxylique [French] [ACD/IUPAC Name]
635292-67-0 [RN]
CB-181963
UNII-6784994L0W

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.832
Molar Refractivity: 134.0±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -4.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 89.7±7.0 dyne/cm
Molar Volume: 304.7±7.0 cm3

Click to predict properties on the Chemicalize site






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