(3R,4S,5R)-3,4-dihydroxy-5-tricosyloxolan-2-one
PubChem CID: 5315404
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R,4S,5R)-3,4-dihydroxy-5-tricosyloxolan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 10.8 |
| Molecular Formula | C27H52O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKMYAKYLTBPVNK-TWJOJJKGSA-N |
| Fcsp3 | 0.9629629629629628 |
| Logs | -4.688 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.234 |
| Compound Name | (3R,4S,5R)-3,4-dihydroxy-5-tricosyloxolan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.387 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.387 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 440.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.924395800000001 |
| Inchi | InChI=1S/C27H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(28)26(29)27(30)31-24/h24-26,28-29H,2-23H2,1H3/t24-,25-,26-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCC[C@@H]1[C@H]([C@H](C(=O)O1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Paeonia Veitchii (Plant) Rel Props:Source_db:cmaup_ingredients