139461 1 2 3 4 5 6 7 8 9 10 11 12 8 8 8 8 8 8 5 5 5 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 8 7 9 8 9 7 10 8 11 9 12 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 4.5981 2.866 3.732 3.732 5.4641 2 3.732 4.5981 2.866 3.1951 5.4641 2 -0.155 -0.155 1.345 -1.655 1.345 1.345 -0.655 0.845 0.845 -1.965 1.965 1.965 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371030038000000000000000000000000000000000000002400000000000000000000000800000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6-trihydroxy-1,3,5,2,4,6-trioxatriborinane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6-trihydroxy-1,3,5,2,4,6-trioxatriborinane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6-trihydroxy-1,3,5,2,4,6-trioxatriborinane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6-trihydroxy-1,3,5,2,4,6-trioxatriborinane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6-tris(oxidanyl)-1,3,5,2,4,6-trioxatriborinane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,4,6-trihydroxy-1,3,5,2,4,6-trioxatriborinane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/B3H3O6/c4-1-7-2(5)9-3(6)8-1/h4-6H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AIUDKCYIGXXGIL-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.0208783 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 B3H3O6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 131.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B1(OB(OB(O1)O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B1(OB(OB(O1)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 88.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.0208783 9 0 0 0 0 0 0 0 1 -1