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Substance Name: Tetra-N-acetylchitotetraose
RN: 2706-65-2
InChIKey: QWBFSMSGJPCHBW-PNWIGLAMSA-N

Molecular Formula

  • C32-H54-N4-O21

Molecular Weight

  • 830.7856
 
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Names and Synonyms

Name of Substance

  • Tetra-N-acetylchitotetraose

Synonym

  • N,N',N'',N'''-Tetraacetylchitintetraose

Systematic Name

  • D-Glucose, O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-

Registry Numbers

CAS Registry Number

  • 2706-65-2

System Generated Number

  • 0002706652

Structure Descriptors

InChI

1S/C32H54N4O21/c1-10(42)33-14(5-37)28(56-31-20(35-12(3)44)26(50)23(47)16(7-39)53-31)29(57-32-21(36-13(4)45)27(51)24(48)17(8-40)54-32)18(9-41)55-30-19(34-11(2)43)25(49)22(46)15(6-38)52-30/h5,14-32,38-41,46-51H,6-9H2,1-4H3,(H,33,42)(H,34,43)(H,35,44)(H,36,45)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-/m0/s1

InChIKey

QWBFSMSGJPCHBW-PNWIGLAMSA-N

Smiles

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H](C=O)NC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)CO)O)O