Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

SBE

Summary
Name:1,3,2-DIOXABOROLAN-2-OL
Formula:C2 H5 B O3
Formal charge:0
Formula weight:87.87 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041,3,2-dioxaborolan-2-ol
OpenEye OEToolkits1.5.02-hydroxy-1,3,2-dioxaborolane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OB1OCCO1
SMILES_CANONICALCACTVS3.341OB1OCCO1
SMILESCACTVS3.341OB1OCCO1
SMILES_CANONICALOpenEye OEToolkits1.5.0B1(OCCO1)O
SMILESOpenEye OEToolkits1.5.0B1(OCCO1)O
InChIInChI1.03InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2
InChIKeyInChI1.03ZBEDLGKSWBORBS-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon