Lアリシンエチレンアセタ-ル

Allysine ethylene acetal

HCID 11041524

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 215054-80-1
標準SMILES: N[C@@H](CCCC1OCCO1)C(=O)O
InChIKey: RQULWPSGQYZREI-LURJTMIESA-N
分子式: C8H15NO4
平均分子量: 189.21 g/mol
単同位体質量: 189.10010796

名称と識別子

優先名称: Allysine ethylene acetal
IUPAC: (2S)-2-amino-5-(1,3-dioxolan-2-yl)pentanoic acid
現地名: Lアリシンエチレンアセタ-ル
英語名: (S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID
分子式: C8H15NO4
分子量: 189.21

名称と別名

allysine ethylene acetalRefChem:405766L-Allysine ethylene acetal215054-80-1(2S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)PENTANOIC ACID(S)-2-Amino-5-(1,3-dioxolan-2-yl)pentanoic acidSCHEMBL231631CHEBI:184275DTXSID801262449MFCD07778443AKOS0062812125-(1,3-Dioxolan-2-yl)-L-norvaline

名称をさらに表示

Lアリシンエチレンアセタ-ルL-アリシンエチレンアセタール5-(1,3-ジオキソラン-2-イル)-L-ノルバリン5-(1,3-ジオキソラン-2-イル)ノルバリン(S)-2-アミノ-5-(1,3-ジオキソラン-2-イル)ペンタン酸(2S)-2-アミノ-5-(1,3-ジオキソラン-2-イル)ペンタン酸L-AllysinethylenacetalL-Allysine ethylene acetal >=98% (TLC)(αS)-α-Amino-1,3-dioxolane-2-pentanoic acid1,3-Dioxolane-2-pentanoic acid, α-amino-, (αS)-(S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID(S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID USP/EP/BP

HY-W141990CS-0201778L-Allysine ethylene acetal, >=98% (TLC)(S)-alpha-amino-1,3-dioxolane-2-pentanoic acid5-(1,3-dioxolan-2-yl)-(S)-2-amino-pentanoic acid(I+/-S)-I+/--Amino-1,3-dioxolane-2-pentanoic acid

データベース識別子

CAS: 215054-80-1
PubChem CID: 11041524
DTXSID: DTXSID801262449
ChEBI: CHEBI:184275
EC Number: 606-785-1
Nikkaji: J1.255.141J

物性

構造計算による物性

XLogP: -2.7
極性表面積: 81.8 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: 5
重原子数: 13
形式電荷: 0
複雑度: 168

物理化学的性質

融点: 200 °C · >200 °C (decomp)
沸点: 338.7 · 338.7±27.0 °C(Predicted)
比重(密度): 1.208 · 1.208±0.06 g/cm3(Predicted)
酸解離定数(Pka): 2.53 · 2.53±0.24(Predicted)
外見: solid
色: White
主な用途: ペプチド合成
InChI: 1S/C8H15NO4/c9-6(8(10)11)2-1-3-7-12-4-5-13-7/h6-7H,1-5,9H2,(H,10,11)/t6-/m0/s1
InChIKey: RQULWPSGQYZREI-LURJTMIESA-N
SMILES: N[C@@H](CCCC1OCCO1)C(O)=O

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 38 reports by companies.；There are 0 notifications provided by 0 of 38 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.