OTU

3-O-alpha-D-glucopyranosyl-D-fructose

Created:	2011-11-01
Last modified:	2020-07-17

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1 entries where OTU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	8
Bond Count	45
Aromatic Bond Count	0

2D diagram of OTU

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Chemical Component Summary
Name	3-O-alpha-D-glucopyranosyl-D-fructose
Synonyms	3-O-alpha-D-glucosyl-D-fructose; 3-O-D-glucosyl-D-fructose; 3-O-glucosyl-D-fructose
Systematic Name (OpenEye OEToolkits)	(3S,4R,5R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,4,5,6-tetrakis(oxidanyl)hexan-2-on e
Formula	C₁₂ H₂₂ O₁₁
Molecular Weight	342.296
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO
SMILES	CACTVS	3.370	OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)C(=O)CO
SMILES	OpenEye OEToolkits	1.7.2	C(C1C(C(C(C(O1)OC(C(C(CO)O)O)C(=O)CO)O)O)O)O
Canonical SMILES	CACTVS	3.370	OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO
Canonical SMILES	OpenEye OEToolkits	1.7.2	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O
InChI	InChI	1.03	InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1
InChIKey	InChI	1.03	RULSWEULPANCDV-PIXUTMIVSA-N

Related Resource References

Resource Name	Reference
PubChem	5460935
ChEBI	CHEBI:32528

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