Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,2,3,6-Tetragalloylglucose
RN: 79886-50-3
UNII: 4648S0G699
InChIKey: RATQVALKDAUZBW-XPMKZLBQSA-N

Molecular Formula

  • C34-H28-O22

Molecular Weight

  • 788.573
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1,2,3,6-Tetragalloylglucose

Synonyms

  • 1,2,3,6-Tetra-O-galloyl-B-D-glucose
  • 1,2,3,6-Tgg
  • UNII-4648S0G699

Systematic Name

  • beta-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 79886-50-3

FDA UNII

  • 4648S0G699

System Generated Number

  • 0079886503

Structure Descriptors

InChI

1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1

InChIKey

RATQVALKDAUZBW-XPMKZLBQSA-N

Smiles

O1[C@H]([C@@H]([C@H]([C@@H](O)[C@H]1COC(c1cc(O)c(c(c1)O)O)=O)OC(c1cc(O)c(c(c1)O)O)=O)OC(c1cc(O)c(c(c1)O)O)=O)OC(c1cc(O)c(c(c1)O)O)=O