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Substance Name: (S)-7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-2-(4-methoxy-3-(phosphonooxy)phenyl)-5-(phosphonooxy)-4H-1-benzopyran-4-one, disodium salt
RN: 85006-16-2
InChIKey: ZTLCHGXEZKJBEZ-QCWCCYFDSA-L

Molecular Formula

  • C28-H36-O21-P2.2Na

Molecular Weight

  • 814.4836
 
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Names and Synonyms

Synonym

  • EINECS 285-045-6

Systematic Name

  • (S)-7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-2-(4-methoxy-3-(phosphonooxy)phenyl)-5-(phosphonooxy)-4H-1-benzopyran-4-one, disodium salt

Registry Numbers

CAS Registry Number

  • 85006-16-2

System Generated Number

  • 0085006162

Molecular Formulas

Molecular Formula

  • C28-H36-O21-P2.2Na

Molecular Formula Fragments

  • C28-H36-O21-P2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H36O21P2.2Na/c1-10-21(30)23(32)25(34)27(44-10)43-9-19-22(31)24(33)26(35)28(47-19)45-12-6-17-20(18(7-12)49-51(39,40)41)13(29)8-15(46-17)11-3-4-14(42-2)16(5-11)48-50(36,37)38;;/h3-7,10,15,19,21-28,30-35H,8-9H2,1-2H3,(H2,36,37,38)(H2,39,40,41);;/q;2*+1/p-2/t10-,15-,19+,21-,22+,23+,24-,25+,26+,27+,28+;;/m0../s1

InChIKey

ZTLCHGXEZKJBEZ-QCWCCYFDSA-L

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(c(c3)OP(=O)([O-])[O-])C(=O)C[C@H](O4)c5ccc(c(c5)OP(=O)(O)O)OC)O)O)O)O)O)O.[Na+].[Na+]