Structural Complex
Chemical ID: 2DB
IUPAC Name: (S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE
Formal Charge: -1
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C3 H10 B O6
Molecular weight: 152.919
Hydrogen Bond Acceptor: 6
Hydrogen Bond Donor: 5
Rotatable Bonds: 9
Heavy Atoms: 10
Systematic name
Program Version Descriptor
ACDLabs 10.04 trihydroxy[(2S)-propane-1,2,3-triolato-kappaO~1~]borate(1-)
OpenEye OEToolkits 1.5.0 [(2S)-2,3-dihydroxypropoxy]-trihydroxy-boron
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 10.04 O[B-](O)(O)OCC(O)CO
SMILES_CANONICAL CACTVS 3.341 OC[C@H](O)CO[B-](O)(O)O
SMILES CACTVS 3.341 OC[CH](O)CO[B-](O)(O)O
SMILES_CANONICAL OpenEye OEToolkits 1.5.0 [B-](O)(O)(O)OC[C@H](CO)O
SMILES OpenEye OEToolkits 1.5.0 [B-](O)(O)(O)OCC(CO)O
InChI InChI 1.03 InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1
InChIKey InChI 1.03 KLKDDPLTQSQDLA-VKHMYHEASA-N
Chemical Database Mapping
Database Reference ID
PubChem 73153226
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