D-Aspartic Acid

HCID 83887CAS 1783-96-6

基本情報

標準SMILES: N[C@H](CC(=O)O)C(=O)O
InChIKey: CKLJMWTZIZZHCS-UWTATZPHSA-N
分子式: C4H7NO4
平均分子量: 133.1 g/mol
単同位体質量: 133.0375077

概要

D-aspartic acid is the D-enantiomer of aspartic acid. It has a role as a mouse metabolite. It is a D-alpha-amino acid and an aspartic acid. It is a conjugate acid of a D-aspartate(1-). It is an enantiomer of a L-aspartic acid.

名称と識別子

優先名称: D-Aspartic Acid
IUPAC: (2R)-2-aminobutanedioic acid

名称と別名

D-Aspartic acid1783-96-6D-Aspartate(-)-Aspartic acid(2R)-2-aminobutanedioic acid(R)-Aspartic acidAspartic acid, D-DTXSID20456504SR0Q8YD1XDTXCID0025650CHEBI:17364NSC-97922

名称をさらに表示

d aspartic acidD Aspartateaspartic acid d-RefChem:3889113-hydroxy-N-(2-methyl-1-oxo-2-propenyl)-(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate217-234-6(R)-2-aminosuccinic acid

データベース識別子

CAS: 1783-96-6
PubChem CID: 83887
DTXSID: DTXSID2045650
ChEMBL: CHEMBL29757
ChEBI: CHEBI:17364
UNII: 4SR0Q8YD1X
EC Number: 217-234-6
Nikkaji: J9.205C

物性

構造計算による物性

XLogP: -2.8
極性表面積: 101 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 9
形式電荷: 0
複雑度: 133

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

Collision Cross Section · 3 件

116.91 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

121.85 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

120.1 Å² [M-H]-

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 88.9% (8 of 9) of all reports.

Warning

H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.