A1H38

(1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol

Created:	2024-02-13
Last modified:	2024-07-31

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1 entries where A1H38 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	4
Bond Count	22
Aromatic Bond Count	0

2D diagram of A1H38

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Chemical Component Summary
Name	(1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol
Synonyms	AD-DGJ; 3,6-anhydro-D-1-deoxygalactonojirimycin
Systematic Name (OpenEye OEToolkits)	(1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol
Formula	C₆ H₁₁ N O₃
Molecular Weight	145.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1CN[CH]2CO[CH]1[CH]2O
SMILES	OpenEye OEToolkits	2.0.7	C1C(C2C(C(N1)CO2)O)O
Canonical SMILES	CACTVS	3.385	O[C@@H]1CN[C@@H]2CO[C@@H]1[C@H]2O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H]([C@@H]2[C@H]([C@H](N1)CO2)O)O
InChI	InChI	1.06	InChI=1S/C6H11NO3/c8-4-1-7-3-2-10-6(4)5(3)9/h3-9H,1-2H2
InChIKey	InChI	1.06	WVZIAVGWQFETLH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	45082773

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.