(2R,3S)-2-amino-3-hydroxybutanoate
PubChem CID: 6995277
Connections displayed (default: 10).
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| Compound Synonyms | D-thr, (2R,3S)-2-amino-3-hydroxybutanoate, D-threonine zwitterion, CHEBI:57757 |
|---|---|
| Topological Polar Surface Area | 88.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 87.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3S)-2-azaniumyl-3-hydroxybutanoate |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Molecular Formula | C4H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AYFVYJQAPQTCCC-STHAYSLISA-N |
| Fcsp3 | 0.75 |
| Logs | -4.414 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.459 |
| Compound Name | (2R,3S)-2-amino-3-hydroxybutanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 119.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 119.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 119.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.405656 |
| Inchi | InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1 |
| Smiles | C[C@@H]([C@H](C(=O)[O-])[NH3+])O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Source_db:cmaup_ingredients