Cas no 33644-59-6 (5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[1-(hydroxyimino)ethyl]-1-methoxy-,(8S,10S)-)

5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[1-(hydroxyimino)ethyl]-1-methoxy-,(8S,10S)- structure
33644-59-6 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-8-[1-(hydroxyimino)ethyl]-1-methoxy-,(8S,10S)-
CAS No:33644-59-6
MF:C27H30N2O10
MW:542.534508228302
CID:317571
PubChem ID:6335302
Update Time:2024-02-29

5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[1-(hydroxyimino)ethyl]-1-methoxy-,(8S,10S)- 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-8-[1-(hydroxyimino)ethyl]-1-methoxy-,(8S,10S)-
    • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-(hydroxyimino)ethyl)-1-methoxy-, (8S-cis)-
    • 10-(4-amino-5-hydroxy-6-methyl-oxan-2-yl)oxy-6,8,11-trihydroxy-8-(N-hy droxy-C-methyl-carbonimidoyl)-1-methoxy-9,10-dihydro-7H-tetracene-5,12 -dione
    • 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[1-(hydroxyimino)ethyl]-1-methoxy-, (8S,10S)-
    • Inchi： 1S/C27H30N2O10/c1-10-22(30)14(28)7-17(38-10)39-16-9-27(35,11(2)29-36)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(37-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-36H,7-9,28H2,1-3H3/b29-11+
    • InChI Key： HUDHPOXZMUHYAB-VPUKRXIYSA-N
    • SMILES： C1C=C2C(=O)C3=C(O)C4CC(O)(/C(/C)=N/O)CC(OC5CC(N)C(O)C(C)O5)C=4C(O)=C3C(=O)C2=C(OC)C=1

Computed Properties

  • Exact Mass: 542.19
  • Monoisotopic Mass: 542.19
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 4
  • Complexity: 994
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 201A^2

Experimental Properties

  • Density: 1.65
  • Boiling Point: 812.4°Cat760mmHg
  • Flash Point: 445.1°C
  • Refractive Index: 1.716

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

Related Categories

33644-59-6 (5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[1-(hydroxyimino)ethyl]-1-methoxy-,(8S,10S)-) Related Products

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