11877134 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 6 -1 1 1 2 2 3 3 4 4 5 5 6 7 8 8 8 9 9 10 10 11 11 12 11 12 8 19 9 20 10 21 12 22 13 13 9 10 14 11 15 12 16 13 17 18 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 8 2 9 10 14 1 1 9 3 8 11 15 1 1 10 4 12 8 16 2 1 11 1 13 9 17 2 1 12 1 5 10 18 1 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 4.5981 4.5981 2.866 6.3301 6.3301 2.866 2 4.5981 3.732 5.4641 3.732 5.4641 2.866 4.0611 3.1951 5.4641 3.732 5.4641 5.135 2.866 6.8671 6.3301 1.155 -1.845 -0.845 -0.845 1.155 2.155 0.655 -0.845 -0.345 -0.345 0.655 0.655 1.155 -1.155 -0.035 -0.965 1.275 1.275 -2.155 -1.465 -0.535 1.775 5 6 6 6 5 8 9 10 11 12 2 3 4 13 5 -1 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 200 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 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 00000371C0603800000000000000000000000000000000000000240000000000000000000000001A00000800000814B08003000800000600080000900802000000000000000001400000111016000004024000052000070001CA6C044000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-oxanecarboxylate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>)-3,4,5,6-tetrahydroxyoxane-2-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2-,3+,4+,6+/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AEMOLEFTQBMNLQ-VCSGLWQLSA-M Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 193.03482762 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H9O7- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 193.13 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1(C(C(OC(C1O)O)C(=O)[O-])O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1O)O)C(=O)[O-])O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 130 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 193.03482762 13 5 5 0 0 0 0 0 1 -1