AOS

D-ALLOSE

Created:	2006-08-25
Last modified:	2020-06-24

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4 entries where AOS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	4
Bond Count	23
Aromatic Bond Count	0

2D diagram of AOS

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Chemical Component Summary
Name	D-ALLOSE
Systematic Name (OpenEye OEToolkits)	(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
Formula	C₆ H₁₂ O₆
Molecular Weight	180.156
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CC(O)C(O)C(O)C(O)CO
SMILES	CACTVS	3.341	OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(C(C=O)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1
InChIKey	InChI	1.03	GZCGUPFRVQAUEE-BGPJRJDNSA-N

Related Resource References

Resource Name	Reference
PubChem	102288
ChEBI	CHEBI:40822

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