4369426 -OEChem-10311712183D 47 47 0 1 0 0 0 0 0999 V2000 -0.6599 1.8260 -0.4312 P 0 0 1 0 0 0 0 0 0 0 0 0 0.0163 0.3897 -0.7022 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 2.5585 0.6111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 2.6172 -1.6531 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0672 -1.7389 -0.1698 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1835 0.6659 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1149 1.4677 0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3727 0.3309 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 -0.4293 0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3123 -1.5128 -1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4427 -0.4537 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0174 -2.5206 -0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6461 -0.7617 0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4427 -0.8070 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7261 -1.5121 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5203 0.5856 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 -1.5471 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 1.2380 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 -0.8944 0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5316 0.4981 0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3582 -2.3475 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5233 1.2338 -1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7401 -0.2604 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5372 2.4291 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 0.9497 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 -0.2554 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8063 1.2588 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1782 0.1190 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -0.6775 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6785 -2.4796 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -0.9439 -1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0141 -1.3900 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7709 0.1260 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 -2.7038 -0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -3.4935 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 -1.9813 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0676 0.1709 1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3283 -1.3620 1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0894 -0.9227 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3463 -2.4653 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5763 -1.7231 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 1.1754 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3588 -2.6322 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1835 2.9128 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 2.3220 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 -1.4703 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 1.0062 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 2 9 1 0 0 0 0 3 44 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 14 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 M END > DB06966 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MMTDYBZZRYOMFD-HNNXBMFYSA-N/SDF?record_type=3d > CCCCCCP(O)(=O)OC[C@@H](C)CC1=CC=CC=C1 > InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m0/s1 > MMTDYBZZRYOMFD-HNNXBMFYSA-N > C16H27O3P > 298.3575 > 298.169781242 > 2 > 47 > 33.62287633510904 > 1 > 1 > 0 > 1 > hexyl[(2S)-2-methyl-3-phenylpropoxy]phosphinic acid > 3.86 > 4.271774957333334 > -3.90 > 0 > 1 > -1 > 1.95662822203492 > 46.53 > 83.29990000000001 > 10 > 1 > 3.73e-02 g/l > hexyl((2S)-2-methyl-3-phenylpropoxy)phosphinic acid > 0 $$$$