4369425 -OEChem-10311712183D 47 47 0 1 0 0 0 0 0999 V2000 0.0897 3.0426 -0.2216 P 0 0 1 0 0 0 0 0 0 0 0 0 1.1208 1.8139 -0.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 4.0052 0.8924 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 3.7183 -1.4992 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 0.5896 0.4923 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0909 1.3007 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 2.3474 0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2566 0.6924 0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 1.1408 0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0628 -0.4625 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0109 -0.3384 -0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 1.7327 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1957 -0.9241 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2029 -1.6716 -0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -1.9242 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7439 -2.7771 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8668 -1.6836 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9493 -3.8946 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 -2.8011 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6134 -3.9066 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 0.1186 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4588 1.7601 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3979 0.5089 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 3.1748 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0037 1.9162 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8791 0.2167 1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9441 1.4889 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6898 1.8331 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 0.3512 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7491 -0.0083 -1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 -0.7962 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3277 -1.1442 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3699 0.1343 -1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0202 1.3578 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 2.4911 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 2.2225 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8726 -0.1199 0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8401 -1.4198 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3661 -1.4501 -1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3273 -2.7583 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8095 -2.3316 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7828 -2.7787 0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4364 -0.8358 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 4.5547 0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 -4.7551 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9675 -2.8111 -0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -4.7767 0.3482 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 > DB06965 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MMTDYBZZRYOMFD-OAHLLOKOSA-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-/m1/s1 > MMTDYBZZRYOMFD-OAHLLOKOSA-N > C16H27O3P > 298.3575 > 298.169781242 > 2 > 47 > 33.693712729406236 > 1 > 1 > 0 > 1 > hexyl[(2R)-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((2R)-2-methyl-3-phenylpropoxy)phosphinic acid > 0 $$$$