Basic information
- CAS
4294-45-5- Standard SMILES
N[C@H](C(=O)O)[C@H](O)C(=O)O- InChIKey
YYLQUHNPNCGKJQ-LWMBPPNESA-N- Molecular formula
- C4H7NO5
- Average molar mass
- 149.1 g/mol
- Monoisotopic mass
- 149.03242232
Overview
(3S)-3-hydroxy-L-aspartic acid is the (3S)-diastereomer of 3-hydroxy-L-aspartic acid. It has a role as a metabolite. It is a conjugate acid of a (3S)-3-hydroxy-L-aspartate(2-) and a (3S)-3-hydroxy-L-aspartate(1-). It is an enantiomer of a (3R)-3-hydroxy-D-aspartic acid.
Names & identifiers
- Preferred name
- DL-threo-beta-Hydroxyaspartic acid
- IUPAC
- (2S,3S)-2-amino-3-hydroxybutanedioic acid
- English name
- DL-threo-beta-Hydroxyaspartic acid
- Molecular formula
- C4H7NO5
- Molecular weight
- 149.1
Names & synonyms
7298-99-9DL-threo-beta-Hydroxyaspartic acidL-threo-3-Hydroxyaspartic acid4294-45-5(3S)-3-hydroxy-L-aspartic acid(2S,3S)-2-amino-3-hydroxybutanedioic acidL-(-)-threo-3-Hydroxyaspartic acidUNII-Z9Q5W0U8VWZ9Q5W0U8VWL-Aspartic acid, 3-hydroxy-, (3S)-L-threo-3-Hydroxyaspartatebeta-Hydroxyaspartic acid, l-threo-
Show more names
DL-THYANSC-1191283-HYDROXY-D-ASPARTIC ACIDDL-threo-β-HydroxyaspartateD,L-threo-β-HydroxyAsparticAcidthreo-3-hydroxy-DL-aspartic acidD,L-THREO-B-HYDROXYASPARTIC ACIDthreo-3-Hydroxy-DL-asparatic acid5β-Pregnane-3α,21-diol-11,20-dione
beta-Hydroxy-L-aspartic acid, threo-threo-2-Amino-3-hydroxysuccinic acidthreo-3-Hydroxy-L-aspartateNSC 139979L-threo-beta-Hydroxyaspartic acid(2S,3S)-2-Amino-3-hydroxysuccinic acidD,L-threo-beta-Hydroxy Aspartic AcidD,L-threo-b-Hydroxy Aspartic Acid
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
Physicochemical properties
- Melting point
- 230 °C · >230°C dec
- Boiling point
- 368.7 · 368.7±42.0 °C(Predicted)
- Density
- 1.738 · 1.738±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Aqueous Base (Slightly)
- pka
- 2.13 · 2.13±0.27(Predicted)
- form
- Solid
- color
- White to Pale Beige
- Stability
- Hygroscopic
- InChI
- InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/s3
- InChIKey
- YYLQUHNPNCGKJQ-JCYAYHJZSA-N
- SMILES
- C(O)(=O)[C@@H]([C@@H](O)C(O)=O)N |&1:3,4,r|
- CAS DataBase Reference
- 4294 · 4294-45-5
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 32 · NA.32
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesA glutamate uptake inhibitor
UsesL-aspartate beta-carboxylase inhibitor, neurotoxic
UsesDL-threo-β-Hydroxyaspartic acid (THA) has been used to block glutamate transport in cannulated sprague dawley rat.
General DescriptionDL-threo-β-hydroxyaspartic acid (THA) is a glutamate uptake inhibitor.
Suppliers25 total
北京华美互利生物化工010-56205725 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
Related reactions
1 records
Compound notes
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