D-Turanose, heptakis(trimethylsilyl)-
PubChem CID: 553904
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| Compound Synonyms | D-Turanose, heptakis(trimethylsilyl)-, D-Trehalose, 7TMS derivative, UKHUTQREQAFREY-UHFFFAOYSA-N, 2,3,4-Tris-O-(trimethylsilyl)hexopyranosyl 2,3,4,6-tetrakis-O-(trimethylsilyl)hexopyranoside # |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 51.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol |
| Prediction Hob | 0.0 |
| Molecular Formula | C33H78O11Si7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UKHUTQREQAFREY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -8.416 |
| Rotatable Bond Count | 18.0 |
| Logd | 6.093 |
| Compound Name | D-Turanose, heptakis(trimethylsilyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 846.393 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 846.393 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 847.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C33H78O11Si7/c1-45(2,3)35-23-25-27(40-47(7,8)9)29(42-49(13,14)15)31(44-51(19,20)21)33(37-25)38-32-30(43-50(16,17)18)28(41-48(10,11)12)26(24(22-34)36-32)39-46(4,5)6/h24-34H,22-23H2,1-21H3 |
| Smiles | C[Si](C)(C)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
| Nring | 2.0 |
| 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