A1IVP

2.5-anhydro-D-mannitol

Created:	2024-12-03
Last modified:	2025-12-17

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1 entries where A1IVP is found as a standalone ligand

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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 A1IVP

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Chemical Component Summary
Name	2.5-anhydro-D-mannitol
Synonyms	(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)oxolane-3,4-diol
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)oxolane-3,4-diol
Formula	C₆ H₁₂ O₅
Molecular Weight	164.156
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1O[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.7	C(C1C(C(C(O1)CO)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI	1.06	InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey	InChI	1.06	MCHWWJLLPNDHGL-KVTDHHQDSA-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.