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Showing structure for CHEM011570: Silane, diethoxymethyl[3-(oxiranylmethoxy)propyl]-
62467 -OEChem-10091913053D 40 40 0 1 0 0 0 0 0999 V2000 2.2794 -0.4269 -0.3883 Si 0 0 0 0 0 0 0 0 0 0 0 0 -6.5373 -0.3020 0.2686 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9619 0.0781 0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 1.2095 -0.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 -0.9974 0.5051 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3145 0.4255 0.0965 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6812 -0.7224 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9479 -0.3262 -1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5902 -0.1995 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1497 -0.1346 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8211 -0.4409 0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 -1.3665 -2.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 2.1174 0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -0.9256 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 3.5007 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 -1.4893 0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3539 1.5058 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 -0.2571 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5822 -1.8009 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4959 -1.2529 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4375 0.2435 -1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 -0.6776 -1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5047 0.8751 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2813 -1.2091 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0669 0.3674 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 -1.5157 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7057 0.0612 1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -1.2325 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 -2.4358 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 -1.0052 -2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4919 1.8523 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7264 2.0815 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1532 0.1173 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 -1.4990 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6724 3.5684 -0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9303 3.7920 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8942 4.2247 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 -1.4488 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6267 -2.5314 1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8376 -0.9385 1.8788 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 7 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 62467 > <PUBCHEM_CONFORMER_RMSD> 1 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 38 55 37 2 43 48 12 15 13 50 24 51 34 29 6 36 26 49 7 44 33 28 54 21 32 53 9 14 47 41 20 56 4 27 18 31 39 40 25 5 22 35 3 8 30 17 23 19 42 11 52 16 10 46 45 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 16 1 0.76 10 0.38 11 0.28 12 -0.08 13 0.28 14 0.28 17 0.1 2 -0.3 20 0.1 21 0.1 3 -0.56 4 -0.58 5 -0.58 6 -0.05 7 -0.08 8 -0.05 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 10.6 > <PUBCHEM_PHARMACOPHORE_FEATURES> 2 1 2 acceptor 1 3 acceptor > <PUBCHEM_HEAVY_ATOM_COUNT> 16 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 1 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 0000F40300000001 > <PUBCHEM_MMFF94_ENERGY> 14.6769 > <PUBCHEM_FEATURE_SELFOVERLAP> 10.149 > <PUBCHEM_SHAPE_FINGERPRINT> 11089746 13 18333446534998867619 12166972 35 18131068221145322688 12616971 3 18201719574640210669 13073987 5 15625949690496814851 13836976 161 17775851219878370270 14170010 4 18410570713067224144 14251718 22 13973959900854834331 14863182 85 16558757793332812022 15242439 84 17603307046617930659 17834072 33 18273215339753418455 17834076 25 8718822098367094491 17844677 252 18409737257736689185 18006028 8 18334574595685931330 18222031 100 18271815584221196878 20369508 70 18261110755654916858 20645477 70 18343308080209885493 21054139 6 18131058351706628455 212847 35 18040442091885408996 21315763 129 18410573968583868997 22224240 67 17632285771233474938 23402539 116 18342452613193193959 23557571 272 16271935865426669208 23559900 14 17458069291255378193 23622692 88 18413387635955939694 3060560 45 17988097667987482668 4340502 62 15985100803948580150 5104073 3 18336557122081694563 59755656 215 16878221961397571411 621550 34 11455894633257000514 67856867 119 18201715210310126001 9999458 23 18186799201709183658 > <PUBCHEM_SHAPE_MULTIPOLES> 324.01 14.74 2.22 1.18 21.78 3.02 0.43 -3.49 -1.28 -4.22 0.23 -0.4 -0.47 -0.42 > <PUBCHEM_SHAPE_SELFOVERLAP> 591.241 > <PUBCHEM_SHAPE_VOLUME> 207.1 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM011570: Silane, diethoxymethyl[3-(oxiranylmethoxy)propyl]-
