Basic information
- CAS
6532-76-9- Standard SMILES
N[C@H](C(=O)O)[C@@H](O)C(=O)O- InChIKey
YYLQUHNPNCGKJQ-NHYDCYSISA-N- Molecular formula
- C4H7NO5
- Average molar mass
- 149.1 g/mol
- Monoisotopic mass
- 149.03242232
Overview
(3R)-3-hydroxy-L-aspartic acid is a 3-hydroxy-L-aspartic acid. It is a conjugate acid of a (3R)-3-hydroxy-L-aspartate(2-) and a (3R)-3-hydroxy-L-aspartate(1-). It is an enantiomer of a (3S)-3-hydroxy-D-aspartic acid.
Names & identifiers
- Preferred name
- beta-Hydroxy-L-aspartic acid
- IUPAC
- (2S,3R)-2-amino-3-hydroxybutanedioic acid
- English name
- erythro-3-hydroxy-DL-aspartic acid
- Molecular formula
- C4H7NO5
- Molecular weight
- 149.1
Names & synonyms
beta-Hydroxyaspartic acidbeta-Hydroxy-L-aspartic acidL-Aspartic acid, 3-hydroxy-U030HG60NNRefChem:107968781601-40-3(3R)-3-hydroxy-L-aspartic acid7298-98-8(2S,3R)-2-amino-3-hydroxybutanedioic aciderythro-beta-Hydroxyaspartic acid(2S,3R)-2-amino-3-hydroxysuccinic acid(3R)-3-Hydroxyaspartate
Show more names
erythro-3-hydroxy-DL-aspartic acidD-Aspartic acid, 3-hydroxy-, (3S)-rel-(2S,3R)-2-amino-3-hydroxy-succinic acid
erythro-3-Hydroxy-L-aspartic acidErythro-beta-hydroxy-L-aspartic aciderythro-3-Hydroxy-L-aspartate6532-76-9GDV0MSK2SGerythro-3-Hydroxy-Ls-aspartic acidL-Aspartic acid, 3-hydroxy-, (3R)-CHEMBL3317781
Database identifiers
- CAS
6532-76-9、7298-98-8- PubChem CID
- 14463
- DTXSID
DTXSID201295781- ChEMBL
CHEMBL3317781
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 287 · 287-288 °C (decomp)
- Boiling point
- 368.651 · 368.651±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.739 · 1.739±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.13 · 2.130±0.27(predicted)
Chemistry & industry
Suppliers6 total
北京华美互利生物化工010-56205725 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: (3R)-3-hydroxy-L-aspartic acid is a 3-hydroxy-L-aspartic acid. It is a conjugate acid of a (3R)-3-hydroxy-L-aspartate(1-) and a (3R)-3-hydroxy-L-aspartate(2-). It is an enantiomer of a (3S)-3-hydroxy-D-aspartic acid.
Related reactions
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Compound notes
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