71627308 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 56 57 58 59 60 61 62 15 8 8 8 8 8 8 8 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 1 1 1 6 -1 7 -1 1 1 1 1 2 2 3 4 4 5 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 21 22 22 22 24 24 24 25 25 25 26 26 27 27 5 6 7 8 23 25 23 26 62 27 10 11 28 29 12 30 31 13 32 33 14 34 35 17 36 37 20 38 39 16 18 40 41 19 42 43 23 44 45 21 46 47 22 48 49 21 50 51 24 52 53 54 55 56 26 57 58 27 59 60 61 1 1 1 2 1 1 2 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 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26 4 27 25 59 2 1 20 14 50 21 18 51 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 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 56 57 58 59 60 61 62 2.866 7.1962 8.0622 5.4641 3.732 2 2.366 3.366 11.5263 12.3923 10.6603 13.2583 9.7942 14.1244 16.7224 16.7224 8.9282 15.8564 17.5885 14.9904 15.8564 17.5885 8.0622 18.4545 6.3301 5.4641 4.5981 11.1278 11.9248 12.7908 11.9938 11.0588 10.2617 12.8598 13.6569 9.3957 10.1928 14.5229 13.7258 16.9345 17.333 16.5104 16.1119 9.3267 8.5297 15.6444 15.2458 17.8005 18.199 14.9904 16.3933 17.3764 16.9779 18.7645 18.9914 18.1445 5.9316 6.7287 6.001 4.1996 4.9966 6.001 -2 -1.5 -3 -0.5 -1.5 -2.5 -1.134 -2.866 -2 -1.5 -1.5 -2 -2 -1.5 -0 1 -1.5 -0.5 1.5 -2 -1.5 2.5 -2 3 -2 -1.5 -2 -2.475 -2.475 -1.025 -1.025 -1.025 -1.025 -2.475 -2.475 -2.475 -2.475 -1.025 -1.025 -0.5826 0.1077 1.5826 0.8923 -1.025 -1.025 0.0826 -0.6077 0.9174 1.6077 -2.62 -1.81 3.0826 2.3923 2.4631 3.31 3.5369 -2.475 -2.475 -1.19 -2.475 -2.475 -0.19 6 26 4 -2 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 422 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 18 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F0783802000000000000000000000000000000000000000000000000000000000000001A00000820000814A08002020800000710884020D208800000002000000808010000080110120001000200000580000B000388C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-hydroxy-propyl] phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R)-2-hydroxy-3-[(Z)-1-oxohexadec-9-enoxy]propyl] phosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2<I>R</I>)-3-[(<I>Z</I>)-hexadec-9-enoyl]oxy-2-hydroxypropyl] phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-hydroxypropyl] phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-oxidanyl-propyl] phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-hydroxy-propyl] phosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h7-8,18,20H,2-6,9-17H2,1H3,(H2,22,23,24)/p-2/b8-7-/t18-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GLGQZYWTNAOWHT-JTHGQSKGSA-L Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.21204045 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H35O7P-2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 119 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.21204045 27 1 1 0 1 1 0 0 1 -1