DL-Homoserine

HCID 779CAS 1927-25-9

基本情報

標準SMILES: NC(CCO)C(=O)O
InChIKey: UKAUYVFTDYCKQA-UHFFFAOYSA-N
分子式: C4H9NO3
平均分子量: 119.12 g/mol
単同位体質量: 119.05824315

概要

Homoserine is an alpha-amino acid that is glycine substituted at the alpha-position by a 2-hydroxyethyl group. It has a role as a metabolite. It is a conjugate acid of a homoserinate.

名称と識別子

優先名称: DL-Homoserine
IUPAC: 2-amino-4-hydroxybutanoic acid

名称と別名

DL-Homoserine1927-25-9H-DL-HoSer-OH2-amino-4-hydroxy-butanoic acidD,L-Homoserine498-19-1DL-2-Amino-4-hydroxybutyric AcidHomoserine, (+/-)-MFCD00002618JN0F9A0SSOButyric acid, 2-amino-4-hydroxy-, DL-NSC-37755

名称をさらに表示

homoserins3118Homoserine #NSC-206298EINECS 217-661-8(+/-)-HomoserineHOMOSERINE, DLDL-Homoserine, 99%

データベース識別子

CAS: 1927-25-9、498-19-1、6027-21-0、672-15-1
PubChem CID: 779
DTXSID: DTXSID80862365
ChEBI: CHEBI:30653
UNII: JN0F9A0SSO
EC Number: 217-661-8
Nikkaji: J1.207F

物性

構造計算による物性

XLogP: -4.4
極性表面積: 83.6 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: 8
形式電荷: 0
複雑度: 83.4

実験および物理化学的性質

Collision Cross Section125.9 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

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.