5-Hydroxytryptophan monohydrate, dl-
PubChem CID: 45052530
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| Compound Synonyms | 5-Hydroxytryptophan monohydrate, dl-, UNII-XXE58DJG85, XXE58DJG85, 5-Hydroxy tryptophan monohydrate, dl-, 10030-79-2, 5-HYDROXY-DL-TRYPTOPHAN MONOHYDRATE, 5-HYDROXY TRYPTOPHAN MONOHYDRATE,DL-, d,l-5-hydroxytryptophan hydrate, DL-5-hydroxytryptophan monohydrate, DB-042773, Q27294041 |
|---|---|
| Topological Polar Surface Area | 100.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid, hydrate |
| Prediction Hob | 1.0 |
| Molecular Formula | C11H14N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UIHHMHBYEZJGNC-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.255 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.316 |
| Compound Name | 5-Hydroxytryptophan monohydrate, dl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.095 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 238.24 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.47767130588235307 |
| Inchi | InChI=1S/C11H12N2O3.H2O/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10, /h1-2,4-5,9,13-14H,3,12H2,(H,15,16), 1H2 |
| Smiles | C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N.O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mucuna Pruriens (Plant) Rel Props:Source_db:cmaup_ingredients