L-Glutamine, N2-((1,1-dimethylethoxy)carbonyl)-

HCID 83687

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13726-85-7
표준 SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIKey: VVNYDCGZZSTUBC-LURJTMIESA-N
분자식: C10H18N2O5
평균 분자량: 246.26 g/mol
단동위원소 질량: 246.12157168

이름 및 식별자

우선 이름: L-Glutamine, N2-((1,1-dimethylethoxy)carbonyl)-
IUPAC: (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
영어명: N-(tert-Butoxycarbonyl)-L-glutamine
분자식: C10H18N2O5
분자량: 246.26

이름 및 동의어

Boc-L-glutamineN2-tert-Butoxycarbonyl-L-glutamineN2-tert-Butyloxycarbonyl-L-glutamineL-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]-EINECS 237-296-8N2-((1,1-Dimethylethoxy)carbonyl)-L-glutamineNalpha-tert-Butoxycarbonyl-L-glutamineNSC 334370Glutamine, N2-carboxy-, N2-tert-butyl ester, L-N(alpha)-tert-Butoxycarbonyl-L-glutamineDTXSID30884633N2-[(1,1-Dimethylethoxy)carbonyl]-L-glutamine

이름 더 보기

BOC-GLNBOC-L-GLNBOC-L-GLN-OHn-OHBOC-GLUTAMINEBoc-Gln-OH 98%TBOC-L-GLUTAMINEN-t-BOC-L-Gln-OH

L-Glutamine, N2-((1,1-dimethylethoxy)carbonyl)-N2-((tert-Butoxy)carbonyl)-L-glutamineN2-[(tert-butoxy)carbonyl]-L-glutamineRefChem:796331DTXCID001024063Glutamine, N2-carboxy-, N2-tert-butyl ester, L-(8CI)237-296-8Boc-Gln-OH

데이터베이스 식별자

CAS: 13726-85-7
PubChem CID: 83687
DTXSID: DTXSID30884633
UNII: 596K674KAF
EC Number: 237-296-8
Nikkaji: J278.018F

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 119 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 17
형식 전하: 0
복잡도: 308

물리화학적 성질

녹는점: 113 · 113-116 °C (dec.)(lit.)
끓는 점: 389.26 °C · 389.26°C (rough estimate)
밀도: 1.243 · 1.2430 (rough estimate)
굴절률: -4 ° · -4 ° (C=2, EtOH)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 2 ml · DMSO와 메탄올에 용해됩니다. 2ml DMF에 1mmole에 용해됩니다.
물리적 상태: 고체
산도 계수 (pKa): 3.84 · 3.84±0.10(Predicted)
색상: 하얀색
BRN: 2127805 · 2127805
주요 응용: 펩타이드 합성
InChI: InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
InChIKey: VVNYDCGZZSTUBC-LURJTMIESA-N
SMILES: C(O)(=O)[C@H](CCC(N)=O)NC(OC(C)(C)C)=O
EPA: 2 · L-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]- (13726-85-7)

화학적 성질

White fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.