KFN

2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid

Created:2010-11-26
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count5
Bond Count31
Aromatic Bond Count0
2D diagram of KFN

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Chemical Component Summary

Name2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid
Synonyms(4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)(4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid
FormulaC9 H14 O8
Molecular Weight250.203
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
SMILESOpenEye OEToolkits1.6.1C1=C(OC(C(C1O)O)C(C(CO)O)O)C(=O)O
Canonical SMILESCACTVS3.352 OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.6.1 C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O
InChIInChI1.03 InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1
InChIKeyInChI1.03 IZHMZNLAOQHCDZ-LRGKAINGSA-N

Related Resource References

Resource NameReference
PubChem 11021292