Grundinformationen
- Standard-SMILES
CC(C)(C)OC(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12- InChIKey
SYRVNJKDYWWNHD-AUSIDOKSSA-N- Summenformel
- C26H27ClN2O5S
- Durchschnittliche Molmasse
- 515 g/mol
- Monoisotopische Masse
- 514,13292064
Namen und Bezeichner
- Bevorzugter Name
- (6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- IUPAC
- benzhydryl (6R,7R)-3-(chloromethyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Englischer Name
- Diphenylmethyl 7beta-Tert-Butoxycarbonylamino-3-Chloromethyl-3-Cephem-4-Carboxylate
- Summenformel
- C26H27ClN2O5S
- Molmasse
- 515.02
Namen und Synonyme
112028-91-8(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateDiphenylmethyl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylateC26H27ClN2O5Sbenzhydryl (6R,7R)-3-(chloromethyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSYRVNJKDYWWNHD-AUSIDOKSSA-NSCHEMBL5148598DTXSID90471907AKOS015999169AC-8825(6R,7R)-Benzhydryl7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatebenzhydryl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem 4-carboxylate
Weitere Namen anzeigen
BOC-ACLH6-methyl-2-propan-2-yl-1,4-dihydropyrimidineDiphenylmethyl 7beta-Tert-Butoxycarbonylamino-3-Chloromethyl...7β-tert-Butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate7β-tert-ButoxycarbonylaMino-3-chloroMethyl-3-cepheM- 4-carboxylate7β-(tert-Butoxycarbonylamino)-3-(chloromethyl)-3-cephem-4-carboxylicAcidDiphenylmethylEster(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.
benzhydryl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate(6R,7R)-3-(Chloromethyl)-7-[[(tert-butoxy)carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl esterDiphenylmethyl (6R,7R)-7-[(tert-butoxycarbonyl)amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Datenbank-Bezeichner
- CAS
112028-91-8- PubChem CID
- 11756232
- DTXSID
DTXSID90471907- Nikkaji
- J346.004E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 110 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 827
Physikochemische Eigenschaften
- Siedepunkt
- 685.7 · 685.7±55.0 °C(Predicted)
- Dichte
- 1.36 · 1.36
- storage temp.
- 2 · 2-8°C
- pka
- 10.16 · 10.16±0.60(Predicted)
Chemie und Industrie
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