Cas no 79206-72-7 (1-Naphthacenecarboxylicacid, 4-[[O-2''',3''-anhydro-3,6-dideoxy-a-L-erythro-hexopyranos-4-ulos-1-yl-(1®4)-O-2,6-dideoxy-a-D-lyxo-hexopyranosyl-(1®4)-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-,methyl ester, [1R-(1a,2b,4b)]- (9CI))

1-Naphthacenecarboxylicacid, 4-[[O-2''',3''-anhydro-3,6-dideoxy-a-L-erythro-hexopyranos-4-ulos-1-yl-(1®4)-O-2,6-dideoxy-a-D-lyxo-hexopyranosyl-(1®4)-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-,methyl ester, [1R-(1a,2b,4b)]- (9CI) structure
79206-72-7 structure
Product Name:1-Naphthacenecarboxylicacid, 4-[[O-2''',3''-anhydro-3,6-dideoxy-a-L-erythro-hexopyranos-4-ulos-1-yl-(1®4)-O-2,6-dideoxy-a-D-lyxo-hexopyranosyl-(1®4)-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-,methyl ester, [1R-(1a,2b,4b)]- (9CI)
CAS No:79206-72-7
MF:C41H49NO16
MW:811.824873685837
CID:572127
PubChem ID:3081590
Update Time:2025-04-19

1-Naphthacenecarboxylicacid, 4-[[O-2''',3''-anhydro-3,6-dideoxy-a-L-erythro-hexopyranos-4-ulos-1-yl-(1®4)-O-2,6-dideoxy-a-D-lyxo-hexopyranosyl-(1®4)-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-,methyl ester, [1R-(1a,2b,4b)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • LogP
    • 1-hydroxyauramycin B
    • methyl 4-[4-(dimethylamino)-5-[(2,9-dimethyl-3-oxo-4,4a,5a,6,7,9,9a,10a-octahydrodipyrano[4,2-a:4',3'-e][1,4]dioxin-7-yl)oxy]-6-methyloxan-2-yl]oxy-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydr
    • 4)-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-,methyl ester, [1R-(1a,2b,4b)]- (9CI)
    • 4)-O-2,6-dideoxy-a-D-lyxo-hexopyranosyl-(1&reg
    • 1-Naphthacenecarboxylic acid, 4-((O-2''',3''-anhydro-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1->4)-O-2,6-dideoxy-alpha-D-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,1 1-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-
    • 79206-72-7
    • methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
    • 1-Naphthacenecarboxylicacid, 4-[[O-2''',3''-anhydro-3,6-dideoxy-a-L-erythro-hexopyranos-4-ulos-1-yl-(1®4)-O-2,6-dideoxy-a-D-lyxo-hexopyranosyl-(1®4)-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-,methyl ester, [1R-(1a,2b,4b)]- (9CI)
    • Inchi： 1S/C41H49NO16/c1-15-23(45)12-25-40(54-15)58-38-17(3)53-28(13-24(38)55-25)57-37-16(2)52-27(11-20(37)42(5)6)56-26-14-41(4,50)33(39(49)51-7)18-10-19-30(35(47)29(18)26)36(48)32-22(44)9-8-21(43)31(32)34(19)46/h8-10,15-17,20,24-28,33,37-38,40,43-44,47,50H,11-14H2,1-7H3
    • InChI Key： SZRITNDCSRYXGH-UHFFFAOYSA-N
    • SMILES： O(C1CC2C(C(C)O1)OC1C(CC(C(C)O1)=O)O2)C1C(C)OC(CC1N(C)C)OC1C2C(=C3C(C4C(=CC=C(C=4C(C3=CC=2C(C(=O)OC)C(C)(C1)O)=O)O)O)=O)O

Computed Properties

  • Exact Mass: 811.305135
  • Monoisotopic Mass: 811.305135
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 58
  • Rotatable Bond Count: 7
  • Complexity: 1600
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 14
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 226
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.5
  • Boiling Point: 890.9°C at 760 mmHg
  • Flash Point: 492.6°C
  • Refractive Index: 1.65

1-Naphthacenecarboxylicacid, 4-[[O-2''',3''-anhydro-3,6-dideoxy-a-L-erythro-hexopyranos-4-ulos-1-yl-(1®4)-O-2,6-dideoxy-a-D-lyxo-hexopyranosyl-(1®4)-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-,methyl ester, [1R-(1a,2b,4b)]- (9CI) Related Literature

Related Categories

79206-72-7 (1-Naphthacenecarboxylicacid, 4-[[O-2''',3''-anhydro-3,6-dideoxy-a-L-erythro-hexopyranos-4-ulos-1-yl-(1®4)-O-2,6-dideoxy-a-D-lyxo-hexopyranosyl-(1®4)-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-,methyl ester, [1R-(1a,2b,4b)]- (9CI)) Related Products

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