9882105 -OEChem-10051722323D 30 29 0 1 0 0 0 0 0999 V2000 3.3609 0.9780 -0.0126 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 0.9712 0.0148 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2525 -0.2183 -0.0461 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -0.2197 0.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1094 -2.6000 0.8788 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0788 -2.6040 -0.8839 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 0.8375 1.1695 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7271 2.2331 -0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1901 0.8345 -1.1708 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 2.2270 0.3749 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3152 -1.4261 0.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3103 -1.4129 -0.7022 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2209 -0.2193 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -0.2086 -0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 0.4245 -1.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 0.4030 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4619 -1.4599 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -1.4421 -1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 0.7224 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6923 -0.3038 1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 0.7353 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 -0.2905 -1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -3.3661 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7973 -2.5942 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 0.4148 -2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 1.1224 -1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 -0.5744 -1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 -0.5965 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 0.3909 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1399 1.0953 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 15 1 0 0 0 0 2 4 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END > DB11678 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YCPOZVAOBBQLRI-WDSKDSINSA-N/SDF?record_type=3d > CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O > InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1 > YCPOZVAOBBQLRI-WDSKDSINSA-N > C6H14O8S2 > 278.29 > 278.013009759 > 6 > 30 > 24.928094015033032 > 1 > 2 > 0 > 0 > (2S,3S)-2,3-dihydroxy-4-(methanesulfonyloxy)butyl methanesulfonate > -1.53 > -2.5970205199999996 > -1.21 > 0 > 0 > 0 > 14.42764061572851 > 12.989807576484225 > -3.5463876459423735 > 127.20000000000002 > 51.983599999999996 > 7 > 1 > 1.70e+01 g/l > treosulphan > 0 $$$$