ChemSpider 2D Image | 2TB00A1Z7N | C21H27N5O9S2

2TB00A1Z7N

  • Molecular FormulaC21H27N5O9S2
  • Average mass557.597 Da
  • Monoisotopic mass557.125000 Da
  • ChemSpider ID5014485
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 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-2-ène-2-carboxylate de 1-[(isopropoxycarbonyl)oxy]éthyle [French] [ACD/IUPAC Name]
(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-2-ène-2-carboxylate de 1-{[(1-méthyléthoxy)carbonyl]oxy}éthyle [French]
[6R-[6a,7b(Z)]]-7-[[(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid 1-[[(1-Methylethoxy)carbonyl]oxy]ethyl Ester
1-({[(1-methylethyl)oxy]carbonyl}oxy)ethyl (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-[(methyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
1-(Isopropoxycarbonyloxy)ethyl (6R,7R)-7-[2-(2-Amino-4-thiazolyl)-(Z)-2-(methoxyimino)acetamido]-3-methoxymethyl-3-cephem-4-carboxylate
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-2-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-2-en-2-carboxylat [German] [ACD/IUPAC Name]
1-{[(1-methylethoxy)carbonyl]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-2-ene-2-carboxylate
1-{[(1-Methylethoxy)carbonyl]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-2-en-2-carboxylat
1-{[(propan-2-yloxy)carbonyl]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-2-ene-2-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CS 807 [DBID]
U 76252 [DBID]
C08115 [DBID]
CS-807 [DBID]
D00920 [DBID]
RU-51807 [DBID]
U-76252 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      The 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis. ChEBI CHEBI:3505
    • Drug Status:

      approved BIONET-Key Organics KS-1149

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

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: 2.17
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.34
ACD/KOC (pH 5.5): 144.93
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 120.18
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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