3072 -OEChem-10051720363D 25 24 0 0 0 0 0 0 0999 V2000 -0.0041 -1.0972 0.3558 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 -0.0257 -0.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5077 -0.7781 -0.1529 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3994 -2.5172 0.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 0.1806 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 0.5747 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 0.6846 1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 1.1611 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 1.1764 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 0.6409 -0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7476 -0.7762 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 1.1318 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 -0.6090 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2849 0.9964 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9773 -0.0934 2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 1.5352 1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9142 1.3293 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7928 0.7826 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 2.1238 -1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3198 2.1618 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8072 1.3119 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 0.5298 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 1.6740 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3746 0.1861 -1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0364 0.0760 -0.1363 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 13 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 M END > DB04491 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BLKXLEPPVDUHBY-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)OP(=O)OC(C)C > InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3 > BLKXLEPPVDUHBY-UHFFFAOYSA-N > C6H15O3P > 166.1553 > 166.075880858 > 1 > 25 > 0.0 > 16.67075266979731 > 1 > 0 > 0 > 0 > bis(propan-2-yl) phosphonate > 0.93 > 1.5172 > -1.37 > 0 > 0 > 0 > 0 > -7.769433395485291 > 35.53 > 39.871500000000005 > 4 > 1 > 7.09e+00 g/l > biotin > 1 $$$$