FK9

3-(propylsulfanyl)propyl alpha-D-mannopyranoside

Created:	2012-05-26
Last modified:	2020-07-17

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1 entries where FK9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	5
Bond Count	43
Aromatic Bond Count	0

2D diagram of FK9

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Chemical Component Summary
Name	3-(propylsulfanyl)propyl alpha-D-mannopyranoside
Synonyms	PROPYL THIOPROPYL ALPHA-D-MANNOPYRANOSIDE; 3-(propylsulfanyl)propyl alpha-D-mannoside; 3-(propylsulfanyl)propyl D-mannoside; 3-(propylsulfanyl)propyl mannoside
Systematic Name (OpenEye OEToolkits)	(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(3-propylsulfanylpropoxy)oxane-3,4,5-triol
Formula	C₁₂ H₂₄ O₆ S
Molecular Weight	296.38
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(CCCSCCC)C1OC(C(O)C(O)C1O)CO
SMILES	CACTVS	3.385	CCCSCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.9.2	CCCSCCCOC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES	CACTVS	3.385	CCCSCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C12H24O6S/c1-2-5-19-6-3-4-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11+,12+/m1/s1
InChIKey	InChI	1.03	VPHBOBPNUZWASC-GCHJQGSQSA-N

Related Resource References

Resource Name	Reference
PubChem	57339138
ChEMBL	CHEMBL3092403

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