ChemSpider 2D Image | 1-[(Isopropoxycarbonyl)oxy]ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate | C21H27N5O9S2

1-[(Isopropoxycarbonyl)oxy]ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

  • Molecular FormulaC21H27N5O9S2
  • Average mass557.597 Da
  • Monoisotopic mass557.125000 Da
  • ChemSpider ID48057840

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-3-(méthoxyméthyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ène-2-carboxylate de 1-[(isopropoxycarbonyl)oxy]éthyle [French] [ACD/IUPAC Name]
1-[(Isopropoxycarbonyl)oxy]ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate [ACD/IUPAC Name]
1-[(Isopropoxycarbonyl)oxy]ethyl-(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-en-2-carboxylat [German] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-3-(methoxymethyl)-8-oxo-, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, (6R,7 R)- [ACD/Index Name]
(6R,7R)-1-((isopropoxycarbonyl)oxy)ethyl 7-((Z)-2-(2-imino-2,3-dihydrothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
???2-Cefpodoxime Proxetil
�?-Cefpodoxime Proxetil
∆2-cefpodoxime proxetil
1-Propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
339528-86-8 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.671
    Molar Refractivity: 131.8±0.5 cm3
    #H bond acceptors: 14
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 4.00
    ACD/LogD (pH 5.5): 2.16
    ACD/BCF (pH 5.5): 25.59
    ACD/KOC (pH 5.5): 354.13
    ACD/LogD (pH 7.4): 2.08
    ACD/BCF (pH 7.4): 21.46
    ACD/KOC (pH 7.4): 297.01
    Polar Surface Area: 235 Å2
    Polarizability: 52.2±0.5 10-24cm3
    Surface Tension: 60.0±7.0 dyne/cm
    Molar Volume: 352.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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