3YW

(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside

Created:2014-12-10
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count6
Bond Count41
Aromatic Bond Count0
2D diagram of 3YW
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Chemical Component Summary

Name(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Synonyms(2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside; (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucoside; (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-D-glucoside; (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-glucoside
Systematic Name (OpenEye OEToolkits)N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-bis(oxidanyl)propoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
FormulaC11 H21 N O8
Molecular Weight295.286
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1C(O)C(O)C(OC1OCC(O)CO)CO)C
SMILESCACTVS3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH](O)CO
SMILESOpenEye OEToolkits1.9.2CC(=O)NC1C(C(C(OC1OCC(CO)O)CO)O)O
Canonical SMILESCACTVS3.385 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)CO
Canonical SMILESOpenEye OEToolkits1.9.2 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O
InChIInChI1.03 InChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1
InChIKeyInChI1.03 BURZSZGRQNCGQJ-KEWAQLPFSA-N

Related Resource References

Resource NameReference
PubChem 90642944