3-Hydroxyaspartic acid

HCID 5425
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Basic information

CAS
1860-87-3
Standard SMILES
NC(C(=O)O)C(O)C(=O)O
InChIKey
YYLQUHNPNCGKJQ-UHFFFAOYSA-N
Molecular formula
C4H7NO5
Average molar mass
149.1 g/mol
Monoisotopic mass
149.03242232

Overview

3-hydroxyaspartic acid is a hydroxy-amino acid that is aspartic acid in which one of the methylene hydrogens has been replaced by a hydroxy group. It is an aspartic acid derivative, a hydroxy-amino acid, an amino dicarboxylic acid and a C4-dicarboxylic acid.

Names & identifiers

Preferred name
3-Hydroxyaspartic acid
IUPAC
2-amino-3-hydroxybutanedioic acid
English name
3-hydroxyaspartic acid
Molecular formula
C4H7NO5
Molecular weight
0

Names & synonyms

3-Hydroxyaspartic acid3-aminomalic acid1860-87-3CHEBI:83981RefChem:9113913-hydroxyaspartic acid, (erythro)-DL-threo-3-hydroxyaspartic acidthreo-hydroxyaspartic acid71653-06-02-Amino-3-hydroxysuccinic Acid2-amino-3-hydroxybutanedioic acidd,l-threo-3-HYDROXYASPARTIC ACID
Show more names
beta-Hydroxyaspartic acidNsc 84663Threo-beta-hydroxyaspartateAspartic acid, 3-hydroxy- (8ci)(9ci)
Aspartic acid, 3-hydroxy-MFCD00128126Malic acid, 3-amino-3-Hydroxy-DL-aspartic acid2-amino-3-hydroxy-butanedioic acidNSC6182604294-45-599A78V5YX2

Database identifiers

CAS
1860-87-3、4294-45-5、5753-30-0、6532-76-9、71653-06-0、7298-98-8、7298-99-9
PubChem CID
5425
DTXSID
DTXSID20875575
ChEMBL
CHEMBL3039080
ChEBI
CHEBI:83981
UNII
99A78V5YX2
EC Number
224-299-4、229-431-4、275-771-1
Nikkaji
J2.364.886E

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

Physicochemical properties

LogP
-1.122 · -1.122 (est)
FDA UNII
99 A78V5YX2 · 99A78V5YX2

Chemistry & industry

Suppliers7 total

北京华美互利生物化工010-56205725 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]

Additional notes

DefinitionChEBI: A hydroxy-amino acid that is aspartic acid in which one of the methylene hydrogens has been replaced by a hydroxy group.

Related reactions

2 records
New reaction record

Compound notes

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