ChemSpider 2D Image | (6S)-3-({[5-(Carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-7-{[(2E)-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo xylic acid | C20H20N6O7S4

(6S)-3-({[5-(Carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-7-{[(2E)-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo xylic acid

  • Molecular FormulaC20H20N6O7S4
  • Average mass584.669 Da
  • Monoisotopic mass584.027649 Da
  • ChemSpider ID68025991

  • 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

(6S)-3-({[5-(Carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-7-{[(2E)-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbon säure [German] [ACD/IUPAC Name]
(6S)-3-({[5-(Carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-7-{[(2E)-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo xylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-7-[[(2E)-2-(2,3-dihydro-2-imino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-8-oxo-, (6S)- [ACD/Index Name]
Acide (6S)-3-({[5-(carboxyméthyl)-4-méthyl-1,3-thiazol-2-yl]sulfanyl}méthyl)-7-{[(2E)-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2 -carboxylique [French] [ACD/IUPAC Name]
Cefodizime
Modivid

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: 1.852
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 90.1±7.0 dyne/cm
Molar Volume: 312.8±7.0 cm3

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