60034050 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 17 17 18 18 18 19 19 20 20 21 22 22 23 23 25 8 40 10 41 21 54 24 55 24 7 8 26 27 9 28 29 10 30 11 31 32 12 33 13 34 35 14 36 37 38 39 15 42 16 43 19 44 18 20 45 46 24 47 48 22 49 21 50 23 25 51 25 52 53 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 8 1 6 10 30 1 1 10 2 8 12 33 1 1 12 10 36 14 42 15 2 1 15 14 43 16 44 19 2 1 19 16 49 22 25 51 1 1 20 17 50 21 3 23 1 1 23 21 52 25 53 22 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 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 11.5263 10.6603 5.4641 2 3.732 12.3923 13.2583 11.5263 14.1244 10.6603 14.9904 9.7942 15.8564 8.9282 8.0622 7.1962 3.732 2.866 6.3301 3.732 4.5981 5.4641 4.5981 2.866 5.4641 11.9938 12.7908 13.6569 12.8598 12.0632 13.7258 14.5229 11.1972 15.3889 14.5919 9.7942 15.5464 16.3933 16.1664 12.0632 10.1233 8.9282 8.0622 7.1962 3.9441 4.3426 2.654 2.2554 6.3301 3.1951 4.9272 4.0611 6.001 5.4641 2 3.905 1.405 -0.595 -3.595 -3.595 2.405 2.905 2.905 2.405 2.405 2.905 2.905 2.405 2.405 2.905 2.405 -1.595 -2.095 2.905 -0.595 -0.095 2.405 0.905 -3.095 1.405 1.93 1.93 3.38 3.38 3.215 1.93 1.93 2.095 3.38 3.38 3.525 1.8681 2.095 2.9419 4.215 1.095 1.785 3.525 1.785 -2.1776 -1.4873 -1.5124 -2.2027 3.525 -0.285 2.715 1.215 1.095 -1.215 -4.215 5 6 8 10 1 2 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 500 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 13 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0783800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D2080000000020200008080100000809141200010000500004C00009900380C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-4,6,8,10,12-pentaenoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyeicosa-4,6,8,10,12-pentaenoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>Z</I>,6<I>E</I>,8<I>Z</I>,10<I>E</I>,12<I>E</I>,14<I>R</I>,15<I>S</I>)-5,14,15-trihydroxyicosa-4,6,8,10,12-pentaenoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-4,6,8,10,12-pentaenoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,6E,8Z,10E,12E,14R,15S)-5,14,15-tris(oxidanyl)icosa-4,6,8,10,12-pentaenoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4Z,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyeicosa-4,6,8,10,12-pentaenoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H30O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12-13,15,18-19,21-23H,2-3,8,11,14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+,17-13-/t18-,19+/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CACJRFQSBZXUPX-DWASMCBYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.20932405 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H30O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC(C(C=CC=CC=CC=CC(=CCCC(=O)O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\C(=C\CCC(=O)O)\O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 98 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.20932405 25 2 2 0 5 5 0 0 1 -1