Cas no 79438-97-4 (5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(2-oxopropyl)-,(8S,10S)- (9CI))

5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(2-oxopropyl)-,(8S,10S)- (9CI) structure
79438-97-4 structure
Product Name:5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(2-oxopropyl)-,(8S,10S)- (9CI)
CAS No:79438-97-4
MF:C28H31NO10
MW:541.546448945999
CID:564969
PubChem ID:157383
Update Time:2025-04-19

5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(2-oxopropyl)-,(8S,10S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(2-oxopropyl)-,(8S,10S)- (9CI)
    • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopy ranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(2-oxop ropyl)-, (8S-cis)-
    • Feudomycin B
    • Feudomycin B Discontinued
    • 5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy
    • 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-(2-oxopropyl)-8,10-dihydro-7H-tetracene-5,12-dione
    • 79438-97-4
    • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-8-(2-oxopropyl)-6,8,11-trihydroxy-, (8S-cis)
    • FT-0668525
    • UNII-SV8FPE7YP7
    • SV8FPE7YP7
    • DTXSID001000469
    • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(2-oxopropyl)-, (8S-cis)-
    • 3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-oxopropyl)-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
    • Inchi： 1S/C28H31NO10/c1-11(30)8-28(36)9-14-20(17(10-28)39-18-7-15(29)23(31)12(2)38-18)27(35)22-21(25(14)33)24(32)13-5-4-6-16(37-3)19(13)26(22)34/h4-6,12,15,17-18,23,31,33,35-36H,7-10,29H2,1-3H3
    • InChI Key： GKOUBQUQZFFVPW-UHFFFAOYSA-N
    • SMILES： O(C1CC(C(C(C)O1)O)N)C1C2C(=C3C(C4C(=CC=CC=4C(C3=C(C=2CC(CC(C)=O)(C1)O)O)=O)OC)=O)O

Computed Properties

  • Exact Mass: 541.19500
  • Monoisotopic Mass: 541.19479619g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 5
  • Complexity: 976
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 186?2

Experimental Properties

  • PSA: 185.84000
  • LogP: 2.11930

5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(2-oxopropyl)-,(8S,10S)- (9CI) Related Literature

Related Categories

79438-97-4 (5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(2-oxopropyl)-,(8S,10S)- (9CI)) Related Products

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