TS8

2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose

Created:	2011-02-24
Last modified:	2020-07-17

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1 entries where TS8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	5
Bond Count	44
Aromatic Bond Count	0

2D diagram of TS8

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Chemical Component Summary
Name	2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose
Synonyms	3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL; 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucose; 2,3,4,6-tetra-O-acetyl-1-thio-D-glucose; 2,3,4,6-tetra-O-acetyl-1-thio-glucose
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyl-oxan-2-yl]methyl ethanoate
Formula	C₁₄ H₂₀ O₉ S
Molecular Weight	364.368
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
SMILES	CACTVS	3.352	CC(=O)OC[CH]1O[CH](S)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O
SMILES	OpenEye OEToolkits	1.6.1	CC(=O)OCC1C(C(C(C(O1)S)OC(=O)C)OC(=O)C)OC(=O)C
Canonical SMILES	CACTVS	3.352	CC(=O)OC[C@H]1O[C@@H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C
InChI	InChI	1.03	InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey	InChI	1.03	SFOZKJGZNOBSHF-RGDJUOJXSA-N

Related Resource References

Resource Name	Reference
PubChem	88293
ChEMBL	CHEMBL3774645

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