Cas no 78173-91-8 (AURAMYCIN B)

AURAMYCIN B structure
AURAMYCIN B structure
Product Name:AURAMYCIN B
CAS No:78173-91-8
MF:C41H49NO15
MW:795.825473546982
CID:567891
PubChem ID:155837
Update Time:2025-04-19

AURAMYCIN B Chemical and Physical Properties

Names and Identifiers

    • AURAMYCIN B
    • auramycin B
    • auramycin A
    • DTXSID00228823
    • methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
    • 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexapyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-dioxo-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-
    • PCGZUKQITWMLRC-RJFPJLDVSA-N
    • CHEBI:223343
    • 78173-91-8
    • 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1->4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-d ioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-
    • AURAMYCIN B
    • Inchi： 1S/C41H49NO15/c1-16-24(44)13-26-40(53-16)57-38-18(3)52-29(14-25(38)54-26)56-37-17(2)51-28(12-22(37)42(5)6)55-27-15-41(4,49)33(39(48)50-7)20-11-21-32(36(47)31(20)27)35(46)30-19(34(21)45)9-8-10-23(30)43/h8-11,16-18,22,25-29,33,37-38,40,43,47,49H,12-15H2,1-7H3/t16-,17-,18-,22-,25-,26-,27-,28-,29-,33-,37+,38+,40-,41+/m0/s1
    • InChI Key： PCGZUKQITWMLRC-RJFPJLDVSA-N
    • SMILES： O([C@H]1C[C@H]2[C@@H]([C@H](C)O1)O[C@H]1[C@H](CC([C@H](C)O1)=O)O2)[C@@H]1[C@H](C)O[C@H](C[C@@H]1N(C)C)O[C@@H]1C2C(=C3C(C4C(=CC=CC=4C(C3=CC=2[C@@H](C(=O)OC)[C@@](C)(C1)O)=O)O)=O)O

Computed Properties

  • Exact Mass: 795.31000
  • Monoisotopic Mass: 795.31
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 7
  • Complexity: 1560
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 206?2

Experimental Properties

  • Density: 1.2495 (rough estimate)
  • Melting Point: 161°C
  • Boiling Point: 748.77°C (rough estimate)
  • Flash Point: 477.8°C
  • Refractive Index: 1.6220 (estimate)
  • PSA: 206.05000
  • LogP: 2.78400

AURAMYCIN B Security Information

  • Storage Condition：Ventilate and dry at low temperature, and store separately from food raw materials in the warehouse

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