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Substance Name: Trehalose 2-sulfate, ammonium salt
RN: 91667-49-1
InChIKey: KCSITTGCEUPVOC-INJDEQCRSA-N

Note

  • Core carbohydrate of sulfatides of Mycobacterium tuberculosis.

Molecular Weight

  • 439.3885
 
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Names and Synonyms

Name of Substance

  • Trehalose 2-sulfate
  • Trehalose 2-sulfate, ammonium salt

Synonyms

  • 2-O-Sulfotrehalose, ammonium salt
  • Ammonium alpha,alpha-trehalose 2-sulfate

Systematic Name

  • alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, (S-(R*,R*))-, ammonium salt

Registry Numbers

CAS Registry Number

  • 91667-49-1

System Generated Number

  • 0091667491

Structure Descriptors

InChI

1S/C12H22O14S.H3N/c13-1-3-5(15)7(17)9(19)11(23-3)25-12-10(26-27(20,21)22)8(18)6(16)4(2-14)24-12;/h3-19H,1-2H2,(H,20,21,22);1H3/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-;/m1./s1

InChIKey

KCSITTGCEUPVOC-INJDEQCRSA-N

Smiles

S(=O)(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)O)O.N