Cas no 132354-06-4 (7-Deoxo-Steffimycin,INN,USAN)

7-Deoxo-Steffimycin,INN,USAN structure
7-Deoxo-Steffimycin,INN,USAN structure
Product Name:7-Deoxo-Steffimycin,INN,USAN
CAS No:132354-06-4
MF:C28H32O12
MW:560.546489715576
CID:2011337
PubChem ID:154573692
Update Time:2025-04-21

7-Deoxo-Steffimycin,INN,USAN Chemical and Physical Properties

Names and Identifiers

    • 7-Deoxo-Steffimycin,INN,USAN
    • CHEBI:156294
    • 132354-06-4
    • Steffimycin D
    • (2S,3R)-3,10,12-trihydroxy-2,8-dimethoxy-3-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 6-deoxy-2-O-methyl-alpha-L-mannopyranoside
    • 7-deoxo-steffimycin
    • 7-deoxosteffimycin
    • Inchi: 1S/C28H32O12/c1-10-19(30)23(34)25(37-4)27(39-10)40-24-16-11(9-28(2,35)26(24)38-5)6-13-18(21(16)32)22(33)17-14(20(13)31)7-12(36-3)8-15(17)29/h6-8,10,19,23-27,29-30,32,34-35H,9H2,1-5H3
    • InChI Key: FAXXYXLNSNAHOO-UHFFFAOYSA-N
    • SMILES: COC1C(OC2C3C(=CC4=C(C=3O)C(=O)C3C(=CC(=CC=3O)OC)C4=O)CC(O)(C)C2OC)OC(C)C(O)C1O

Computed Properties

  • Exact Mass: 560.18937645Da
  • Monoisotopic Mass: 560.18937645Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 5
  • Complexity: 962
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 181?2
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