YCH

[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol

Created:	2023-06-13
Last modified:	2024-09-27

Find Related PDB Entry
12 entries where YCH is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	1
Bond Count	15
Aromatic Bond Count	0

2D diagram of YCH

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol
Systematic Name (OpenEye OEToolkits)	[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol
Formula	C₃ H₇ B O₄
Molecular Weight	117.896
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1COB(O)O1
SMILES	OpenEye OEToolkits	2.0.7	B1(OCC(O1)CO)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1COB(O)O1
Canonical SMILES	OpenEye OEToolkits	2.0.7	B1(OC[C@@H](O1)CO)O
InChI	InChI	1.06	InChI=1S/C3H7BO4/c5-1-3-2-7-4(6)8-3/h3,5-6H,1-2H2/t3-/m0/s1
InChIKey	InChI	1.06	HXGHIZVNPXUHFK-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	99865114

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.