D-Asparagine

HCID 439600CAS 2058-58-4

基本情報

標準SMILES: NC(=O)C[C@@H](N)C(=O)O
InChIKey: DCXYFEDJOCDNAF-UWTATZPHSA-N
分子式: C4H8N2O3
平均分子量: 132.12 g/mol
単同位体質量: 132.05349212

概要

D-asparagine is an optically active form of asparagine having D-configuration. It is a D-alpha-amino acid and an asparagine. It is a conjugate base of a D-asparaginium. It is a conjugate acid of a D-asparaginate. It is an enantiomer of a L-asparagine. It is a tautomer of a D-asparagine zwitterion.

名称と識別子

優先名称: D-Asparagine
IUPAC: (2R)-2,4-diamino-4-oxobutanoic acid

名称と別名

D-Asparagine2058-58-4(2R)-2,4-diamino-4-oxobutanoic acid(2R)-2-amino-3-carbamoylpropanoic acidAsparagine, D-D-aspartic acid beta-amideD-2-aminosuccinamic acidD-AsparaginUNII-T6QV1010K6(2R)-4-amino-2-ammonio-4-oxobutanoateEINECS 218-163-3(R)-2-amino-3-carbamoylpropanoic acid

名称をさらに表示

CHEBI:28159DTXSID30872479D-asparagine zwitterionCHEBI:74337(2R)-4-amino-2-azaniumyl-4-oxobutanoateRefChem:130509DTXCID70820136218-163-3

データベース識別子

CAS: 2058-58-4
PubChem CID: 439600
DTXSID: DTXSID30872479
ChEMBL: CHEMBL1232369
ChEBI: CHEBI:28159
UNII: T6QV1010K6
EC Number: 218-163-3
Nikkaji: J9.207J

物性

構造計算による物性

XLogP: -3.4
極性表面積: 106 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 9
形式電荷: 0
複雑度: 134

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

Melting Point234 - 235 °C

Physical DescriptionSolid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.