(3R)-3-hydroxy-L-aspartic acid
PubChem CID: 14463
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| Compound Synonyms | (3R)-3-hydroxy-L-aspartic acid, 7298-98-8, (2S,3R)-2-amino-3-hydroxybutanedioic acid, 6532-76-9, erythro-beta-Hydroxyaspartic acid, erythro-3-Hydroxy-DL-aspartic acid, Erythro-beta-hydroxy-L-aspartic acid, (2S,3R)-2-amino-3-hydroxysuccinic acid, (3R)-3-Hydroxyaspartate, 1186-90-9, CHEBI:17576, erythro-3-Hydroxy-L-aspartic acid, GDV0MSK2SG, L-Aspartic acid, 3-hydroxy-, (3R)-, erythro-3-Hydroxy-L-aspartate, beta-Hydroxyaspartic acid, CHEMBL3317781, erythro-3-Hydroxy-Ls-aspartic acid, (2S,3R)-2-AMINO-3-HYDROXY-BUTANEDIOIC ACID, UNII-GDV0MSK2SG, NSC-158205, EINECS 229-431-4, beta-Hydroxy-L-aspartic acid, erythro-, SCHEMBL336362, erythro-3-hydroxy-Ls-aspartate, (2s,3r)-3-hydroxyaspartic acid, DTXSID201295781, 3-HYDROXYASPARTATE, (3R)-, BDBM50055467, 3-HYDROXY ASPARTATE, (3R)-, AKOS006274477, DB03640, NSC 119129, NSC 158205, (2S,3R)-2-Amino-3-hydroxysuccinicacid, CS-0438358, NS00068430, C03961, ERYTHRO-.BETA.-HYDROXY-L-ASPARTIC ACID, EN300-1721166, .BETA.-HYDROXY-L-ASPARTIC ACID, ERYTHRO-, Q27094559 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q9GZT4 |
| Iupac Name | (2S,3R)-2-amino-3-hydroxybutanedioic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT646 |
| Xlogp | -4.4 |
| Molecular Formula | C4H7NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYLQUHNPNCGKJQ-NHYDCYSISA-N |
| Fcsp3 | 0.5 |
| Logs | -0.321 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.792 |
| Compound Name | (3R)-3-hydroxy-L-aspartic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 149.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.2181676000000006 |
| Inchi | InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1 |
| Smiles | [C@H]([C@H](C(=O)O)O)(C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all