3-Hydroxyaspartic acid

HCID 5425CAS 1860-87-3

基本情報

標準SMILES: NC(C(=O)O)C(O)C(=O)O
InChIKey: YYLQUHNPNCGKJQ-UHFFFAOYSA-N
分子式: C4H7NO5
平均分子量: 149.1 g/mol
単同位体質量: 149.03242232

概要

3-hydroxyaspartic acid is a hydroxy-amino acid that is aspartic acid in which one of the methylene hydrogens has been replaced by a hydroxy group.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

名称と識別子

優先名称: 3-Hydroxyaspartic acid
IUPAC: 2-amino-3-hydroxybutanedioic acid
英語名: 3-hydroxyaspartic acid
分子式: C4H7NO5
分子量: 0

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: -4.4
極性表面積: 121 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 156

物理化学的性質

LogP: -1.122 · -1.122 (est)

化学と産業

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江苏洪珉药业有限公司18221292452 · [email protected]

補足説明

定義ChEBI: A hydroxy-amino acid that is aspartic acid in which one of the methylene hydrogens has been replaced by a hydroxy group.