K99

(2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

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

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2 entries where K99 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	7
Bond Count	33
Aromatic Bond Count	0

2D diagram of K99

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Chemical Component Summary
Name	(2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Synonyms	(2R,3R,4R,5R,6S)-2,3-DIFLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	(2R,3R,4R,5R,6S)-2,3-difluoro-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Formula	C₉ H₁₄ F₂ O₈
Molecular Weight	288.199
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	OC[CH](O)[CH](O)[CH]1O[C](F)([CH](F)[CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	1.6.1	C(C(C(C1C(C(C(C(O1)(C(=O)O)F)F)O)O)O)O)O
Canonical SMILES	CACTVS	3.352	OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](F)([C@H](F)[C@H](O)[C@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C9H14F2O8/c10-7-5(16)4(15)6(3(14)2(13)1-12)19-9(7,11)8(17)18/h2-7,12-16H,1H2,(H,17,18)/t2-,3-,4-,5-,6+,7-,9-/m1/s1
InChIKey	InChI	1.03	KSUIKNBQJWNZMW-AWLRDIFTSA-N

Related Resource References

Resource Name	Reference
PubChem	49837850

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