2-Myristynoyl pantetheine
PubChem CID: 535560
Connections displayed (default: 10).
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| Compound Synonyms | 2-Myristynoyl pantetheine, OCNGNEIDNFJFKV-UHFFFAOYSA-N, S-[2-((3-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]propanoyl)amino)ethyl] 2-tetradecynethioate # |
|---|---|
| Topological Polar Surface Area | 141.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 639.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | S-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyl] tetradec-2-ynethioate |
| Prediction Hob | 0.0 |
| Xlogp | 5.4 |
| Molecular Formula | C25H44N2O5S |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCNGNEIDNFJFKV-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.628 |
| Rotatable Bond Count | 19.0 |
| Logd | 3.029 |
| Compound Name | 2-Myristynoyl pantetheine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 484.297 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 484.297 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 484.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.453058600000002 |
| Inchi | InChI=1S/C25H44N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(30)33-19-18-26-21(29)16-17-27-24(32)23(31)25(2,3)20-28/h23,28,31H,4-13,16-20H2,1-3H3,(H,26,29)(H,27,32) |
| Smiles | CCCCCCCCCCCC#CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients