Structural Complex
Chemical ID: NOB
IUPAC Name: dihydroxyboranyloxyboronic acid
Formal Charge: 0
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: B2 H4 O5
Molecular weight: 105.651
Hydrogen Bond Acceptor: 5
Hydrogen Bond Donor: 4
Rotatable Bonds: 6
Heavy Atoms: 7
Systematic name
Program Version Descriptor
OpenEye OEToolkits 3.1.0.0 dihydroxyboranyloxyboronic acid
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/B2H4O5/c3-1(4)7-2(5)6/h3-6H
InChIKey InChI 1.06 YSUQWSOHHLMYMT-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 OB(O)OB(O)O
SMILES CACTVS 3.385 OB(O)OB(O)O
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 B(O)(O)OB(O)O
SMILES OpenEye OEToolkits 3.1.0.0 B(O)(O)OB(O)O
Chemical Database Mapping
Database Reference ID
PubChem 22993032
SureChEMBL SCHEMBL1082522
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