Structural Complex
Chemical ID: A1KEB
IUPAC Name: (R)-(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
OpenEye OEToolkits 2.0.7 [(2~{R})-2,3-bis(oxidanyl)propoxy]-tris(oxidanyl)boranuide
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m1/s1
InChIKey InChI 1.06 KLKDDPLTQSQDLA-GSVOUGTGSA-N
SMILES_CANONICAL CACTVS 3.385 OC[C@@H](O)CO[B-](O)(O)O
SMILES CACTVS 3.385 OC[CH](O)CO[B-](O)(O)O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 [B-](O)(O)(O)OC[C@@H](CO)O
SMILES OpenEye OEToolkits 2.0.7 [B-](O)(O)(O)OCC(CO)O
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