D(+)-Ononitol, TMS
PubChem CID: 91750479
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | D(+)-Pinitol, TMS, D(+)-Ononitol, TMS, IKOVCQNLJNHSBD-GVUKCBQMSA-N, IKOVCQNLJNHSBD-KINXCBNHSA-N |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 571.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(1S,2S,4R,5S)-3-methoxy-2,4,5,6-tetrakis(trimethylsilyloxy)cyclohexyl]oxy-trimethylsilane |
| Prediction Hob | 0.0 |
| Molecular Formula | C22H54O6Si5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKOVCQNLJNHSBD-MNAFSMNISA-N |
| Fcsp3 | 1.0 |
| Logs | -8.098 |
| Rotatable Bond Count | 11.0 |
| Logd | 5.416 |
| Compound Name | D(+)-Ononitol, TMS |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 554.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 554.277 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 555.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H54O6Si5/c1-23-17-18(24-29(2,3)4)20(26-31(8,9)10)22(28-33(14,15)16)21(27-32(11,12)13)19(17)25-30(5,6)7/h17-22H,1-16H3/t17?,18-,19+,20-,21-,22?/m0/s1 |
| Smiles | COC1[C@@H]([C@@H](C([C@H]([C@@H]1O[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 | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adenanthera Pavonina (Plant) Rel Props:Source_db:cmaup_ingredients