71237 -OEChem-10051722303D 33 32 0 0 0 0 0 0 0999 V2000 1.7544 -1.5821 0.3489 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 1.5996 0.3332 P 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.0078 -1.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -1.4033 0.7453 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 -2.6433 -0.8698 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 1.4628 0.7603 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7527 2.6616 -0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8427 -1.9605 1.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 1.9570 1.4594 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1598 0.0084 0.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3424 -0.0020 -0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.0302 -1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -0.0443 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 -0.0110 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 0.0085 0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0996 -0.0290 -0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 -0.9076 -1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1954 0.8406 -1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 -0.9431 0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1356 0.8177 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 0.8762 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6827 -0.8893 -1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 0.9100 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -0.8510 0.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 -0.7921 -2.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2077 -0.9415 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2181 0.8226 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7611 -2.1219 1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -3.5869 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 2.1945 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 3.6098 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0648 0.0422 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0868 0.8664 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 10 16 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M END > DB11620 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PUUSSSIBPPTKTP-UHFFFAOYSA-N/SDF?record_type=3d > NCCCCCC(O)(P(O)(O)=O)P(O)(O)=O > InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14) > PUUSSSIBPPTKTP-UHFFFAOYSA-N > C6H17NO7P2 > 277.15 > 277.048025887 > 8 > 33 > 23.149561131955068 > 1 > 6 > 0 > 0 > (6-amino-1-hydroxy-1-phosphonohexyl)phosphonic acid > -1.00 > -3.3505792492896913 > -1.31 > 0 > 0 > -2 > 1.4540887144125194 > 0.6912522287015674 > 10.208790179825659 > 161.31 > 56.5758 > 7 > 0 > 1.35e+01 g/l > neridronic acid > 0 $$$$