2,3,4,5,6-Pentakis(trimethylsilyloxy)hexanal
PubChem CID: 522260
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| Compound Synonyms | 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal, Galactose, penta-TMS-ether, D-Galactose, 5TMS derivative, PPTMWEDTYQRQBC-UHFFFAOYSA-N, Galactose, pentakis-O-(trimethylsilyl)-, 2,3,4,5,6-Pentakis-O-(trimethylsilyl)hexose, D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, D-Galactose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)- |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 570.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal |
| Prediction Hob | 0.0 |
| Molecular Formula | C21H52O6Si5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PPTMWEDTYQRQBC-UHFFFAOYSA-N |
| Fcsp3 | 0.9523809523809524 |
| Logs | -6.767 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.586 |
| Compound Name | 2,3,4,5,6-Pentakis(trimethylsilyloxy)hexanal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 540.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 540.261 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 541.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3 |
| Smiles | C[Si](C)(C)OCC(C(C(C(C=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients