Cas no 76155-56-1 (Epirubicinol(Mixture of Diastereomers))

Epirubicinol(Mixture of Diastereomers) structure
76155-56-1 structure
Product Name:Epirubicinol(Mixture of Diastereomers)
CAS No:76155-56-1
MF:C27H31NO11
MW:545.535148859024
CID:566877
PubChem ID:127118
Update Time:2025-04-19

Epirubicinol(Mixture of Diastereomers) Chemical and Physical Properties

Names and Identifiers

    • 5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S,10S)-
    • Epirubicinol (Mixture of Diastereomers)
    • (7S,9S)-7-[(2S,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
    • 5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahy
    • EPIRUBICINOL
    • Epirubicinol (Mixture of Diastereomers)
    • 76155-56-1
    • (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
    • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-
    • (8S,10S)-10-((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-8-((S)-1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
    • 5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)OXY)-8-((1S)-1,2-DIHYDROXYETHYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8S,10S)-
    • 13-Dihydro-4'-epidoxorubicin
    • Epidoxorubicinol
    • 4'-Epiadriamycinol
    • 9YZM874P44
    • UNII-9YZM874P44
    • Epirubicinol(Mixture of Diastereomers)
    • Inchi： 1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22-,27-/m0/s1
    • InChI Key： NKZRZOVSJNSBFR-QXAZHNFISA-N
    • SMILES： O([C@H]1C[C@@H]([C@H]([C@H](C)O1)O)N)[C@@H]1C2C(=C3C(C4C(=CC=CC=4C(C3=C(C=2C[C@@]([C@H](CO)O)(C1)O)O)=O)OC)=O)O

Computed Properties

  • Exact Mass: 545.19
  • Monoisotopic Mass: 545.19
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 5
  • Complexity: 935
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 209A^2

Experimental Properties

  • Density: 1.61
  • Melting Point: >200°C (dec.)
  • Boiling Point: 828.7°C at 760 mmHg
  • Flash Point: 455°C
  • Refractive Index: 1.716

Epirubicinol(Mixture of Diastereomers) Pricemore >>

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