FHN

(2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM

Created:	2009-10-20
Last modified:	2011-06-04

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1 entries where FHN is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	29
Chiral Atom Count	4
Bond Count	29
Aromatic Bond Count	0

2D diagram of FHN

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Chemical Component Summary
Name	(2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM
Systematic Name (OpenEye OEToolkits)	(2S,3R,5R,6S)-2,6-bis(hydroxymethyl)piperidin-1-ium-3,4,5-triol
Formula	C₇ H₁₆ N O₅
Molecular Weight	194.206
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(CO)[NH2+]C(C(O)C1O)CO
SMILES	CACTVS	3.352	OC[CH]1[NH2+][CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.6.1	C(C1C(C(C(C([NH2+]1)CO)O)O)O)O
Canonical SMILES	CACTVS	3.352	OC[C@@H]1[NH2+][C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.6.1	C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O
InChI	InChI	1.03	InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/p+1/t3-,4-,5+,6+/m0/s1
InChIKey	InChI	1.03	CLVUFWXGNIFGNC-UNTFVMJOSA-O

Related Resource References

Resource Name	Reference
PubChem	49866986

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