151261 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 5 5 6 6 6 7 7 8 8 9 10 10 6 17 7 18 8 19 9 10 20 7 8 11 9 12 13 14 10 15 16 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 6 1 7 8 11 1 1 7 2 9 6 12 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 6.001 5.135 7.7331 4.269 2.5369 6.001 5.135 6.8671 4.269 3.403 6.538 5.672 6.4685 7.2656 3.0044 3.8015 6.538 4.5981 8.27 2 1.25 -1.25 0.25 1.25 0.25 0.25 -0.25 -0.25 0.25 -0.25 0.56 -0.56 -0.7249 -0.7249 -0.7249 -0.7249 1.56 -1.56 -0.06 -0.06 6 5 6 7 1 2 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 113 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 00000371C0603800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002000000000200080080100002000000000000000001400000011016000000004000052000010000C220000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R)-1,3,4,5-tetrahydroxypentan-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R)-1,3,4,5-tetrahydroxy-2-pentanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3<I>R</I>,4<I>R</I>)-1,3,4,5-tetrahydroxypentan-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R)-1,3,4,5-tetrahydroxypentan-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R)-1,3,4,5-tetrakis(oxidanyl)pentan-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R)-1,3,4,5-tetrahydroxypentan-2-one 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/h3,5-8,10H,1-2H2/t3-,5-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZAQJHHRNXZUBTE-NQXXGFSBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -2.6 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(=O)CO)O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C([C@H]([C@H](C(=O)CO)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 2 2 0 0 0 0 0 1 -1