SIZ

2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose

Created: 2015-12-14
Last modified:  2020-07-17

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count5
Bond Count30
Aromatic Bond Count0
2D diagram of SIZ
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose
SynonymsN-DIFLUOROACETYL-D-GALACTOSAMINE; N-difluoroacetyl-beta-D-galactosamine; 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactose; 2-deoxy-2-[(difluoroacetyl)amino]-D-galactose; 2-deoxy-2-[(difluoroacetyl)amino]-galactose
Systematic Name (OpenEye OEToolkits)2,2-bis(fluoranyl)-N-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
FormulaC8 H13 F2 N O6
Molecular Weight257.189
TypeD-SACCHARIDE, BETA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.7.6C(C1C(C(C(C(O1)O)NC(=O)C(F)F)O)O)O
Canonical SMILESCACTVS3.385 OC[C@H]1O[C@@H](O)[C@H](NC(=O)C(F)F)[C@@H](O)[C@H]1O
Canonical SMILESOpenEye OEToolkits1.7.6 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)F)O)O)O
InChIInChI1.03 InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8-/m1/s1
InChIKeyInChI1.03 QWUDJWPZSGMAGG-UXDJRKLDSA-N

Related Resource References

Resource NameReference
PubChem 118797893