ASO

1,5-anhydro-D-glucitol

Created:	1999-07-08
Last modified:	2024-09-27

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8 entries where ASO is found as a standalone ligand4 entries where ASO is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	4
Bond Count	23
Aromatic Bond Count	0

2D diagram of ASO

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Chemical Component Summary
Name	1,5-anhydro-D-glucitol
Synonyms	1,5-ANHYDROSORBITOL
Systematic Name (OpenEye OEToolkits)	(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
Formula	C₆ H₁₂ O₅
Molecular Weight	164.156
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(OCC(O)C1O)CO
SMILES	CACTVS	3.341	OC[CH]1OC[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(C(C(O1)CO)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKey	InChI	1.03	MPCAJMNYNOGXPB-SLPGGIOYSA-N

Related Resource References

Resource Name	Reference
PubChem	64960
ChEMBL	CHEMBL344637
ChEBI	CHEBI:16070
CCDC/CSD	CELTUI

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