ChemSpider 2D Image | 3-[(2-Furylcarbonyl)thio]methyl]-7-[2-(2-amino-4-thiazolyl)-2-(methoxyiminoacetamido)-3-cephem-4-carboxylic acid | C19H17N5O7S3

3-[(2-Furylcarbonyl)thio]methyl]-7-[2-(2-amino-4-thiazolyl)-2-(methoxyiminoacetamido)-3-cephem-4-carboxylic acid

  • Molecular FormulaC19H17N5O7S3
  • Average mass523.563 Da
  • Monoisotopic mass523.028992 Da
  • ChemSpider ID17340062

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
3-[(2-Furylcarbonyl)thio]methyl]-7-[2-(2-amino-4-thiazolyl)-2-(methoxyiminoacetamido)-3-cephem-4-carboxylic acid
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-, (7R)- [ACD/Index Name]
Acide (7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-3-[(2-furoylsulfanyl)méthyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
MFCD00864953 [MDL number]
(7R)-7-[[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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

34001_RIEDEL [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.820
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 256 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 86.3±7.0 dyne/cm
Molar Volume: 287.8±7.0 cm3

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