(2R)-2-hydroxy-N-[(2S,3S,4S)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanamide
PubChem CID: 162957312
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| Topological Polar Surface Area | 110.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 49.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 662.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R)-2-hydroxy-N-[(2S,3S,4S)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanamide |
| Prediction Hob | 0.0 |
| Xlogp | 16.4 |
| Molecular Formula | C43H87NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YADUGDLSXPPFIP-GFUJKPJOSA-N |
| Fcsp3 | 0.9767441860465116 |
| Logs | -2.463 |
| Rotatable Bond Count | 40.0 |
| Logd | 5.318 |
| Compound Name | (2R)-2-hydroxy-N-[(2S,3S,4S)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 697.658 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 697.658 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 698.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -12.0433602 |
| Inchi | InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)/t39-,40-,41+,42-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCC[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