4-(Phenylmethyl) hydrogen L-aspartate

HCID 101186CAS 2177-63-1

部分構造検索類似構造を探す

基本情報

標準SMILES: N[C@@H](CC(=O)OCc1ccccc1)C(=O)O
InChIKey: VGALFAWDSNRXJK-VIFPVBQESA-N
分子式: C11H13NO4
平均分子量: 223.22 g/mol
単同位体質量: 223.0844579

概要

L-aspartic acid beta-benzyl ester is an aspartic acid derivative.

名称と識別子

優先名称: 4-(Phenylmethyl) hydrogen L-aspartate
IUPAC: (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
英語名: POLY-BETA-BENZYL L-ASPARTATE
分子式: C11H13NO4
分子量: 223.22522

名称と別名

4-(Phenylmethyl) hydrogen L-aspartateDTXSID101347319RefChem:516617DTXCID501776031H-Asp(OBzl)-OH2177-63-1L-Aspartic acid 4-benzyl esterL-Aspartic acid beta-benzyl ester4-Benzyl L-Aspartate(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acidbeta-Benzyl L-aspartateMFCD00037208

名称をさらに表示

POLY-B-BENZYL L-ASPARTATEpoly-β-benzyl-l-aspartatepoly-beta-benzyl-aspartatePOLY-BETA-BENZYL L-ASPARTATEbeta-benzyl-L-aspartate homopolymerPOLY-B-BENZYL L-ASPARTATE*MOL WT 5000-15 000POLY-B-BENZYL L-ASPARTATE*MOL WT 15000-5 0000poly-B-benzyl L-aspartate*mol wt 50000-100000

(S)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid(2S)-2-amino-4-(benzyloxy)-4-oxobutanoic acidL-Aspartic acid |A-benzyl esterL-Aspartic acid 4-O-benzyl esterZJ9URQ9GF6.BETA.-BENZYL ASPARTATE(2S)-2-azaniumyl-4-oxo-4-phenylmethoxybutanoateAKOS015924123

データベース識別子

CAS: 2177-63-1、25248-99-1
PubChem CID: 101186
DTXSID: DTXSID101347319
ChEMBL: CHEMBL4077582
ChEBI: CHEBI:167842
UNII: ZJ9URQ9GF6
EC Number: 218-541-8
Nikkaji: J299.144F

物性

構造計算による物性

XLogP: -2
極性表面積: 89.6 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 16
形式電荷: 0
複雑度: 248

物理化学的性質

貯蔵温度: 20 °C · −20°C

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.