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Substance Name: 7-O-(2,3,5-Trideoxy-3-C-formylpentafuranosyl)adriamycinone
RN: 100349-06-2
InChIKey: JKZAEYKWDZYMJV-BMFNZSJVSA-N

Molecular Formula

  • C27-H26-O11

Molecular Weight

  • 526.4914
 
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Names and Synonyms

Name of Substance

  • 7-O-(2,3,5-Trideoxy-3-C-formylpentafuranosyl)adriamycinone

Synonyms

  • 5-((1,2,3,4,6,11-Hexahydro-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl)oxy)tetrahydro-2-methyl-3-furancarboxaldehyde (2S-(2alpha,3alpha,5beta(1R*,3R*)))-
  • 7-O-(2,3,5-Trideoxy-3-C-formyl-alpha-L-threo-pentafuranosyl)doxomycinone
  • 7-Tfpa

Systematic Name

  • 3-Furancarboxaldehyde, 5-((1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl)oxy)tetrahydro-2-methyl-, (2S-(2alpha,3alpha,5beta(1R*,3R*)))-

Registry Numbers

CAS Registry Number

  • 100349-06-2

System Generated Number

  • 0100349062

Structure Descriptors

InChI

1S/C27H26O11/c1-11-12(9-28)6-18(37-11)38-16-8-27(35,17(30)10-29)7-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33/h3-5,9,11-12,16,18,29,32,34-35H,6-8,10H2,1-2H3/t11-,12+,16-,18-,27-/m0/s1

InChIKey

JKZAEYKWDZYMJV-BMFNZSJVSA-N

Smiles

C[C@H]1[C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)C=O