65550 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 6 7 7 8 8 9 9 10 6 16 7 18 8 19 9 20 10 7 8 11 9 12 10 13 14 15 17 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 6 1 7 8 11 1 1 7 2 6 9 12 1 1 8 3 6 10 13 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 4.5981 5.4641 3.732 7.1962 2 4.5981 5.4641 3.732 6.3301 2.866 5.135 6.001 4.269 5.9316 6.7287 4.0611 2.866 6.001 3.1951 7.7331 -1.25 1.25 1.25 0.25 0.25 -0.25 0.25 0.25 -0.25 -0.25 -0.56 0.56 0.56 -0.7249 -0.7249 -1.56 -0.87 1.56 1.56 -0.06 6 6 5 6 7 8 1 2 3 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 104 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0603800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002000000000200080008108002000000000000000001400000011016000000004000052000010000CA04000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>S</I>,3<I>S</I>,4<I>R</I>)-2,3,4,5-tetrahydroxypentanal IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentanal IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,4R)-2,3,4,5-tetrahydroxyvaleraldehyde InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PYMYPHUHKUWMLA-UOWFLXDJSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 150.05282342 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H10O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 150.13 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(C(C=O)O)O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C([C@H]([C@@H]([C@@H](C=O)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 98 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 150.05282342 10 3 3 0 0 0 0 0 1 -1