Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Y-ART-3
RN: 179465-88-4
InChIKey: LBWYLPIZCCOUQX-MWKYKVQMSA-A

Note

  • A sulfated pentagalloyl glucose.

Molecular Formula

  • C41-H32-O26.x-H2-O4-S.x-Na

Molecular Weight

  • 2471.35
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Y-ART-3

Name of Substance

  • Y-Art 3

Synonyms

  • Pentakis(3,4,5-trihydroxybenzoate)-beta-D-glucopyranose hydrogen sulfate, sodium salt
  • Sulfated pentagalloyl glucose
  • Y-ART-3

Systematic Name

  • beta-D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate), hydrogen sulfate, sodium salt

Registry Numbers

CAS Registry Number

  • 179465-88-4

System Generated Number

  • 0179465884

Molecular Formulas

Molecular Formula

  • C41-H32-O26.x-H2-O4-S.x-Na

Molecular Formula Fragments

  • C41-H32-O26
  • COMPONENT
  • H2-O4-S
  • Na

Structure Descriptors

InChI

1S/C41H32O71S15.15Na/c42-36(12-1-17(98-113(47,48)49)28(108-123(77,78)79)18(2-12)99-114(50,51)52)92-11-27-33(94-37(43)13-3-19(100-115(53,54)55)29(109-124(80,81)82)20(4-13)101-116(56,57)58)34(95-38(44)14-5-21(102-117(59,60)61)30(110-125(83,84)85)22(6-14)103-118(62,63)64)35(96-39(45)15-7-23(104-119(65,66)67)31(111-126(86,87)88)24(8-15)105-120(68,69)70)41(93-27)97-40(46)16-9-25(106-121(71,72)73)32(112-127(89,90)91)26(10-16)107-122(74,75)76;;;;;;;;;;;;;;;/h1-10,27,33-35,41H,11H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91);;;;;;;;;;;;;;;/q;15*+1/p-15/t27-,33-,34+,35-,41+;;;;;;;;;;;;;;;/m1.............../s1

InChIKey

LBWYLPIZCCOUQX-MWKYKVQMSA-A

Smiles

[Na+].O(C(c1cc(c(c(c1)OS(=O)(=O)[O-])OS(=O)([O-])=O)OS([O-])(=O)=O)=O)[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1COC(c1cc(c(OS(=O)(=O)[O-])c(c1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])=O)OC(c1cc(c(OS(=O)(=O)[O-])c(c1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])=O)OC(c1cc(c(OS(=O)(=O)[O-])c(c1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])=O)OC(c1cc(c(OS(=O)(=O)[O-])c(c1)OS(=O)([O-])=O)OS(=O)(=O)[O-])=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]