Toggle navigation
ContaminantDB
Browse
Browse Contaminants
Browse By Sources
Search
ChemQuery Structure Search
Molecular Weight Search
Text Query
Advanced Search
LC-MS Search
LC-MS/MS Search
GC-MS Search
1D NMR Search
2D NMR Search
Downloads
About
About ContaminantDB
Other Databases
Documentation
Data Sources
Statistics
Wishart Research Group
TMIC Wishart Node
Contact Us
Search
Quantitative metabolomics services for biomarker discovery and validation.
Specializing in ready to use metabolomics kits.
Your source for quantitative metabolomics technologies and bioinformatics.
Showing structure for CHEM043693: Tris(trimethylsilyl) hydrogen orthosilicate
2760884 -OEChem-10101915133D 45 44 0 0 0 0 0 0 0999 V2000 2.3766 -2.0155 -0.1590 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5627 3.0574 -0.1557 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 -1.0386 -0.1552 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 -0.0075 0.3533 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -1.3291 -0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 1.3913 -0.2078 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5748 -0.0832 -0.1999 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 -0.0081 2.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 -2.4111 1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 -3.6103 -1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6423 -0.8291 -0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 3.6850 1.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 3.6018 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 3.8588 -1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5558 -1.2706 1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3294 -0.2573 -1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5731 -2.7340 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -3.1016 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8741 -2.8754 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 -1.5002 2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 -4.3344 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -3.4160 -2.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 -4.0563 -1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6387 -1.2809 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 -0.5743 -1.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6841 0.0959 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1331 3.2797 2.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 3.3851 2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 4.7768 1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 3.1881 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 4.6925 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 3.2587 -1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 4.9489 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9153 3.5810 -0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8851 3.5352 -2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7865 -0.3036 2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4613 -1.8843 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -1.7655 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5874 0.7270 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0209 -0.1335 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2253 -0.8847 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4713 -3.3586 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 -2.6413 -1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 -3.2427 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 0.6939 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 8 45 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 2760884 > <PUBCHEM_CONFORMER_RMSD> 0.8 > <PUBCHEM_CONFORMER_DIVERSEORDER> 4 16 25 1 20 27 6 2 22 5 23 7 28 3 29 10 12 21 8 17 14 18 9 19 11 24 13 26 15 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 18 1 0.54 10 -0.08 11 -0.08 12 -0.08 13 -0.08 14 -0.08 15 -0.08 16 -0.08 17 -0.08 2 0.54 3 0.54 4 1.19 45 0.4 5 -0.59 6 -0.59 7 -0.59 8 -0.7 9 -0.08 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 6 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <PUBCHEM_HEAVY_ATOM_COUNT> 17 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <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> 002A20B400000004 > <PUBCHEM_MMFF94_ENERGY> -2.3078 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 11578080 2 17702080500877866672 116883 192 18195520394311199415 11833330 49 18119518843384729320 12160290 23 17762055436946637130 12553582 1 18412549786104039391 12788726 201 18119247264086963602 13004483 165 18194959647592052823 13681431 1 18410856572529972859 1813 80 18341898463269559763 18186145 218 17552370186234256945 18785283 64 17901968639631817643 20600515 1 18192408810774777163 21285901 2 17983850091234175623 21524375 3 17544190940276940481 2255824 54 18267869577879231630 23419403 2 17608609991319961868 23557571 272 18123453991749229490 23559900 14 18199170953895320999 23598288 3 17974013851136950359 23598291 2 18057620939094136887 3091708 16 9212916231030440024 352729 6 17618222806179250335 458136 41 17833006196775152865 7164475 11 17976818692746964094 7364860 26 18268988868078864255 81228 2 18050286964149584161 > <PUBCHEM_SHAPE_MULTIPOLES> 399.23 5.94 5.88 1.63 3.76 5.56 -0.65 -5.62 1 -3.7 1 0 0 0.01 > <PUBCHEM_SHAPE_SELFOVERLAP> 681.625 > <PUBCHEM_SHAPE_VOLUME> 267.5 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
Download:
MOL
SDF
3D-SDF
PDB
SMILES
InChI
×
Structure for CHEM043693: Tris(trimethylsilyl) hydrogen orthosilicate
