Cas no 204255-09-4 (1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester,monohydrochloride, (3R,4R,5S)-)

1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester,monohydrochloride, (3R,4R,5S)- structure
204255-09-4 structure
Product Name:1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester,monohydrochloride, (3R,4R,5S)-
CAS No:204255-09-4
MF:C16H29ClN2O4
MW:348.865463972092
CID:841642
PubChem ID:9928295
Update Time:2025-04-19

1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester,monohydrochloride, (3R,4R,5S)- Chemical and Physical Properties

Names and Identifiers

    • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, monohydrochloride, (3R,4R,5S)-
    • 1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester,monohydrochloride, (3R,4R,5S)-
    • ethyl (3R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate,hydrochloride
    • OSELTAMIVIR HCL
    • OSELTAMIVIR MONO HYDROCHLORIDE
    • Inchi： 1S/C16H28N2O4.ClH/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);1H/t13-,14+,15+;/m0./s1
    • InChI Key： OHEGLAHLLCJYPX-ONAKXNSWSA-N
    • SMILES： Cl.O(C(CC)CC)[C@@H]1C=C(C(=O)OCC)C[C@@H]([C@H]1NC(C)=O)N

Computed Properties

  • Exact Mass: 348.18200
  • Monoisotopic Mass: 348.1815851g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 8
  • Complexity: 418
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 90.6?2

Experimental Properties

  • PSA: 90.65000
  • LogP: 3.17860

1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester,monohydrochloride, (3R,4R,5S)- Pricemore >>

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