A1CCW

2-O-acetyl-6-deoxy-alpha-D-talopyranose

Created:	2025-05-14
Last modified:	2025-10-29

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2 entries where A1CCW is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	5
Bond Count	28
Aromatic Bond Count	0

2D diagram of A1CCW

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Chemical Component Summary
Name	2-O-acetyl-6-deoxy-alpha-D-talopyranose
Systematic Name (OpenEye OEToolkits)	[(3~{S},4~{S},5~{R},6~{R})-6-methyl-2,4,5-tris(oxidanyl)oxan-3-yl] ethanoate
Formula	C₈ H₁₄ O₆
Molecular Weight	206.193
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	OC1OC(C)C(O)C(O)C1OC(C)=O
SMILES	CACTVS	3.385	C[CH]1O[CH](O)[CH](OC(C)=O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	3.1.0.0	CC1C(C(C(C(O1)O)OC(=O)C)O)O
Canonical SMILES	CACTVS	3.385	C[C@H]1O[C@H](O)[C@@H](OC(C)=O)[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C[C@@H]1[C@@H]([C@@H]([C@@H](C(O1)O)OC(=O)C)O)O
InChI	InChI	1.06	InChI=1S/C8H14O6/c1-3-5(10)6(11)7(8(12)13-3)14-4(2)9/h3,5-8,10-12H,1-2H3/t3-,5+,6+,7+,8+/m1/s1
InChIKey	InChI	1.06	JAMRSAWASNAFCK-FDQSEENZSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.