Cas no 200335-68-8 (1-Cyclohexene-1-carboxylicacid, 6-chloro-3,4,5-trihydroxy-, methyl ester, (3S,4S,5S,6S)-)

1-Cyclohexene-1-carboxylicacid, 6-chloro-3,4,5-trihydroxy-, methyl ester, (3S,4S,5S,6S)- structure
200335-68-8 structure
Product Name:1-Cyclohexene-1-carboxylicacid, 6-chloro-3,4,5-trihydroxy-, methyl ester, (3S,4S,5S,6S)-
CAS No:200335-68-8
MF:C8H11ClO5
MW:222.622942209244
CID:269096
PubChem ID:90470903
Update Time:2025-04-19

1-Cyclohexene-1-carboxylicacid, 6-chloro-3,4,5-trihydroxy-, methyl ester, (3S,4S,5S,6S)- Chemical and Physical Properties

Names and Identifiers

    • 1-Cyclohexene-1-carboxylicacid, 6-chloro-3,4,5-trihydroxy-, methyl ester, (3S,4S,5S,6S)-
    • PERICOSINE A
    • (3S,4R)-1-benzyl-4-(4-chloro-phenyl)-pyrrolidine-3-carboxylic acid methyl ester
    • (S)-3-tert-butoxycarbonylamino-butyric acid methyl ester
    • (S)-methyl 3-(tert-butoxycarbonyl)butanoate
    • (S)-methyl 3-(tert-butyloxycarbonylamino)butyrate
    • methyl (3S)-3-[(tert-butoxycarbonyl)amino]butanoate
    • methyl (3S,4R)-1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate
    • methyl (3S,4S,5S,6S)-6-chloro-3,4,5-trihydroxy-1-cyclohexene-1-carboxylate
    • 200335-68-8
    • Methyl (3R,4R,5R,6S)-6-chloro-3,4,5-trihydroxycyclohexene-1-carboxylate
    • MFCD08274590
    • Inchi： 1S/C8H11ClO5/c1-14-8(13)3-2-4(10)6(11)7(12)5(3)9/h2,4-7,10-12H,1H3/t4-,5+,6-,7+/m1/s1
    • InChI Key： AEDMWQPFIPNFCS-UCROKIRRSA-N
    • SMILES： Cl[C@H]1C(C(=O)OC)=C[C@H]([C@H]([C@H]1O)O)O

Computed Properties

  • Exact Mass: 222.03000
  • Monoisotopic Mass: 222.0295011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 265
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 87?2

Experimental Properties

  • PSA: 86.99000
  • LogP: -1.21050

1-Cyclohexene-1-carboxylicacid, 6-chloro-3,4,5-trihydroxy-, methyl ester, (3S,4S,5S,6S)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
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1PlusChem
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