SN5

2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose

Created:	2009-06-04
Last modified:	2020-07-17

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2 entries where SN5 is covalently linked to polymer or other heterogen groups 1 entries where SN5 is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	5
Bond Count	30
Aromatic Bond Count	0

2D diagram of SN5

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Chemical Component Summary
Name	2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose
Synonyms	N-ethanethioyl-beta-D-glucosamine; 2-deoxy-2-(ethanethioylamino)-beta-D-glucose; 2-deoxy-2-(ethanethioylamino)-D-glucose; 2-deoxy-2-(ethanethioylamino)-glucose
Systematic Name (OpenEye OEToolkits)	N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanethioamide
Formula	C₈ H₁₅ N O₅ S
Molecular Weight	237.273
Type	D-SACCHARIDE, BETA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S=C(NC1C(O)C(O)C(OC1O)CO)C
SMILES	CACTVS	3.352	CC(=S)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.6.1	CC(=S)NC1C(C(C(OC1O)CO)O)O
Canonical SMILES	CACTVS	3.352	CC(=S)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC(=S)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
InChI	InChI	1.03	InChI=1S/C8H15NO5S/c1-3(15)9-5-7(12)6(11)4(2-10)14-8(5)13/h4-8,10-13H,2H2,1H3,(H,9,15)/t4-,5-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	BIHKKHHUWVSGSD-FMDGEEDCSA-N

Related Resource References

Resource Name	Reference
PubChem	44825244

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