AFD

alpha-D-allopyranose

Created:	2012-08-31
Last modified:	2020-07-17

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2 entries where AFD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	5
Bond Count	24
Aromatic Bond Count	0

2D diagram of AFD

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Chemical Component Summary
Name	alpha-D-allopyranose
Synonyms	alpha-D-allose; D-allose; allose
Systematic Name (OpenEye OEToolkits)	(2S,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Formula	C₆ H₁₂ O₆
Molecular Weight	180.156
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(O)OC(C(C(C1O)O)O)CO
SMILES	CACTVS	3.385	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	C(C1C(C(C(C(O1)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
InChIKey	InChI	1.03	WQZGKKKJIJFFOK-UKFBFLRUSA-N

Related Resource References

Resource Name	Reference
PubChem	3034742
ChEBI	CHEBI:37686

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