113608 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 14 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 5 6 6 7 7 8 9 10 11 11 11 12 12 13 13 14 15 15 17 17 17 3 8 9 17 14 15 14 11 23 12 24 13 25 16 29 30 31 16 12 13 18 14 19 15 20 21 16 22 26 27 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 11 4 12 13 18 3 1 12 5 11 14 19 3 1 13 6 11 15 20 3 1 14 2 3 12 21 3 1 15 2 13 16 22 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 6.3301 4.5981 6.3301 4.5981 6.3301 2.866 2.866 6.3301 7.3301 2 4.5981 5.4641 3.732 5.4641 3.732 2.866 5.3301 4.0611 5.4641 3.1951 5.4641 3.732 5.135 6.8671 2.866 5.3301 4.7101 5.3301 2.3291 6.8671 7.6401 1.5 0.5 0.5 -2.5 -1.5 -1.5 1.5 2.5 1.5 0 -1.5 -1 -1 -0 -0 0.5 1.5 -1.81 -1.62 -0.69 0.62 0.62 -2.81 -1.19 -2.12 2.12 1.5 0.88 1.81 2.81 0.9631 3 3 3 3 3 11 12 13 14 15 4 5 6 3 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 295 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603C08000000000000000000000000000000000000240000000000000000000000001A10000840000814B08003420800000600080000900802000000000000000001400000111016000004024000052000070001CA6C044000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-[methyl-bis(oxidanyl)silyl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6-[dihydroxy(methyl)silyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H14O9Si/c1-17(13,14)16-7-4(10)2(8)3(9)5(15-7)6(11)12/h2-5,7-10,13-14H,1H3,(H,11,12) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WMGVTFWUDZXSKP-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.04070855 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H14O9Si Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[Si](O)(O)OC1C(C(C(C(O1)C(=O)O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[Si](O)(O)OC1C(C(C(C(O1)C(=O)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 157 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.04070855 17 5 0 5 0 0 0 0 1 -1