(2R)-2-hydroxy-N-[(2S,3R,4S)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide
PubChem CID: 97302192
Connections displayed (default: 10).
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| Topological Polar Surface Area | 110.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 48.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 648.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R)-2-hydroxy-N-[(2S,3R,4S)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide |
| Prediction Hob | 0.0 |
| Xlogp | 15.8 |
| Molecular Formula | C42H85NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZFUXWVVVWGWGPQ-LETRWZBTSA-N |
| Fcsp3 | 0.9761904761904762 |
| Logs | -2.876 |
| Rotatable Bond Count | 39.0 |
| Logd | 5.204 |
| Compound Name | (2R)-2-hydroxy-N-[(2S,3R,4S)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 683.643 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 683.643 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 684.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -11.6821928 |
| Inchi | InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39-,40+,41+/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@H]([C@H](CCCCCCCCCCCCCC)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients