Structural Complex
Chemical ID: A1J5O
IUPAC Name: (2-hydroxyethoxy)trihydroxyborate
Formal Charge: -1
Type: non-polymer
Physiochemical Descriptor:
Formula: C2 H8 B O5
Molecular weight: 122.893
Hydrogen Bond Acceptor: 5
Hydrogen Bond Donor: 4
Rotatable Bonds: 7
Heavy Atoms: 8
Systematic name
Program Version Descriptor
OpenEye OEToolkits 3.1.0.0 2-hydroxyethyloxy-tris(oxidanyl)boranuide
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C2H8BO5/c4-1-2-8-3(5,6)7/h4-7H,1-2H2/q-1
InChIKey InChI 1.06 DHZSTRNRXCJVHS-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 OCCO[B-](O)(O)O
SMILES CACTVS 3.385 OCCO[B-](O)(O)O
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 [B-](O)(O)(O)OCCO
SMILES OpenEye OEToolkits 3.1.0.0 [B-](O)(O)(O)OCCO
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