CID 18604805
PubChem CID: 18604805
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| Compound Synonyms | Octadecyl D-glucoside, 27836-65-3, EINECS 248-686-2, (2R,3S,4S,5R)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol, DTXSID201018260, octadecyl glucopyranoside, SCHEMBL323892, UFSKIYBOKFBSOA-MLYSRARTSA-N, Q27269863, (2R,3S,4S,5R)-2-(Hydroxymethyl)-6-(octadecyloxy)tetrahydro-2H-pyran-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 381.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4S,5R)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | 6.8 |
| Molecular Formula | C24H48O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFSKIYBOKFBSOA-MLYSRARTSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.781 |
| Rotatable Bond Count | 19.0 |
| Logd | 3.894 |
| Compound Name | CID 18604805 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 432.345 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 432.345 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 432.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.6027804 |
| Inchi | InChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24-23(28)22(27)21(26)20(19-25)30-24/h20-28H,2-19H2,1H3/t20-,21-,22+,23-,24?/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients