ChemSpider 2D Image | 1-({(Z)-[2-{[(2S,3R)-2-(Fluoromethyl)-4-oxo-1-sulfo-3-azetidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-oxoethylidene]amino}oxy)cyclopropanecarboxylic acid | C13H14FN5O8S2

1-({(Z)-[2-{[(2S,3R)-2-(Fluoromethyl)-4-oxo-1-sulfo-3-azetidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-oxoethylidene]amino}oxy)cyclopropanecarboxylic acid

  • Molecular FormulaC13H14FN5O8S2
  • Average mass451.407 Da
  • Monoisotopic mass451.026794 Da
  • ChemSpider ID88297319

  • 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

1-({(Z)-[2-{[(2S,3R)-2-(Fluormethyl)-4-oxo-1-sulfo-3-azetidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-oxoethyliden]amino}oxy)cyclopropancarbonsäure [German] [ACD/IUPAC Name]
1-({(Z)-[2-{[(2S,3R)-2-(Fluoromethyl)-4-oxo-1-sulfo-3-azetidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-oxoethylidene]amino}oxy)cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 1-({(Z)-[2-{[(2S,3R)-2-(fluorométhyl)-4-oxo-1-sulfo-3-azétidinyl]amino}-1-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-oxoéthylidène]amino}oxy)cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 1-[[[(1Z)-1-(2,3-dihydro-2-imino-4-thiazolyl)-2-[[(2S,3R)-2-(fluoromethyl)-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy]- [ACD/Index Name]
89426-64-2 [RN]

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

BO 1165 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.824
Molar Refractivity: 93.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.72
ACD/LogD (pH 5.5): -6.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 105.6±7.0 dyne/cm
Molar Volume: 213.9±7.0 cm3

Click to predict properties on the Chemicalize site


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