5460514 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 11 11 8 8 8 8 8 8 8 8 5 5 1 1 1 1 1 1 2 1 11 -1 12 -1 3 3 4 5 5 6 7 7 8 8 9 9 10 10 4 11 12 6 11 12 11 13 11 14 12 15 12 16 1 1 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 13 14 15 16 0 3.37 4.486 4.486 2.754 2.754 4.12 3.12 3.12 4.12 3.62 3.62 4.74 2.5 2.5 4.74 2.866 0 4.866 3.866 4.866 3.866 6.232 6.232 2.5 2.5 5.366 3.366 6.232 6.232 2.5 2.5 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 99.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037183003C30000000000000000000000000000000000000240000000000000000000000080000000C000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;3,3,6,6-tetrakis(oxidanyl)-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;3,3,6,6-tetrahydroxy-1,2,4,5-tetraoxa-3,6-diboranuidacyclohexane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/B2H4O8.2Na/c3-1(4)7-9-2(5,6)10-8-1;;/h3-6H;;/q-2;2*+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JBUKJLNBQDQXLI-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 199.9887660 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 B2H4Na2O8 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 199.63 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [B-]1(OO[B-](OO1)(O)O)(O)O.[Na+].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [B-]1(OO[B-](OO1)(O)O)(O)O.[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 118 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 199.9887660 12 0 0 0 0 0 0 0 3 -1