Cas no 64431-69-2 (1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-a-L-lyxo-hexopyranosyl)-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl ester, (1R,2R,4S)-)

1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-a-L-lyxo-hexopyranosyl)-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl ester, (1R,2R,4S)- structure
64431-69-2 structure
Product Name:1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-a-L-lyxo-hexopyranosyl)-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl ester, (1R,2R,4S)-
CAS No:64431-69-2
MF:C36H45NO13
MW:699.741411924362
CID:507753
PubChem ID:86289513
Update Time:2025-04-19

1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-a-L-lyxo-hexopyranosyl)-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl ester, (1R,2R,4S)- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-a-L-lyxo-hexopyranosyl)-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl ester, (1R,2R,4S)-
    • 1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-a-L-lyxo-hexopyranosyl)-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl
    • aclacinomycin S
    • methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxyla
    • Inchi： 1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1
    • InChI Key： DNZPQXXGAMXDHH-FCNQEGBTSA-N
    • SMILES： O([C@@H]1C2C(=C3C(C4C(=CC=CC=4C(C3=CC=2[C@@H](C(=O)OC)[C@@](CC)(C1)O)=O)O)=O)[O-])[C@H]1C[C@@H]([C@@H]([C@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@H](C)O1)O)O)[NH+](C)C

Computed Properties

  • Exact Mass: 699.289
  • Monoisotopic Mass: 699.289
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 8
  • Complexity: 1270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 206?2

Experimental Properties

  • Density: 1.45
  • Boiling Point: 817.3°C at 760 mmHg
  • Flash Point: 448.1°C
  • Refractive Index: 1.648

1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-a-L-lyxo-hexopyranosyl)-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl ester, (1R,2R,4S)- Related Literature

Related Categories

64431-69-2 (1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-a-L-lyxo-hexopyranosyl)-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl ester, (1R,2R,4S)-) Related Products

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