(R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid

HCID 637603

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6368-20-3
표준 SMILES: CC(C)(C)OC(=O)N[C@H](CO)C(=O)O
InChIKey: FHOAKXBXYSJBGX-RXMQYKEDSA-N
분자식: C8H15NO5
평균 분자량: 205.21 g/mol
단동위원소 질량: 205.09502258

개요

See also: N-tert-butoxycarbonylamino-3-hydroxypropionic acid (annotation moved to).

이름 및 식별자

우선 이름: (R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid
IUPAC: (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
영어명: Boc-D-Serine
분자식: C8H15NO5
분자량: 205.21

이름 및 동의어

(R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acidN-[(1,1-Dimethylethoxy)carbonyl]-D-serineN-((1,1-Dimethylethoxy)carbonyl)-D-serineRefChem:407233613-313-8Boc-D-serine6368-20-3Boc-D-Ser-OHN-Boc-D-serineN-(tert-Butoxycarbonyl)-D-serine(tert-butoxycarbonyl)-D-serineMFCD00063142

이름 더 보기

OC-D-SerineBOC-D-SERINE H2ON-T-BOC-D-SERINE

(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidBoc-D-SerN-tert-Butoxycarbonyl-D-serineN-Boc-(D)-serineD-Serine, N-[(1,1-dimethylethoxy)carbonyl]-DTXSID10348465FD3065(R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid

데이터베이스 식별자

CAS: 6368-20-3
PubChem CID: 637603
DTXSID: DTXSID10348465
UNII: B7N4S576WF
EC Number: 444-670-6、613-313-8
Nikkaji: J265.557H

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 95.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 220

물리화학적 성질

녹는점: 91 · 91-95 °C(lit.)
끓는 점: 343.88 °C · 343.88°C (rough estimate)
밀도: 1.2977 · 1.2977 (rough estimate)
굴절률: 1.454 · 1.4540 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.62 · 3.62±0.10(Predicted)
색상: 하얀색
수용성: 거의 투명함
BRN: 1874714 · 1874714
주요 응용: 펩타이드 합성
InChI: InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1
InChIKey: FHOAKXBXYSJBGX-RXMQYKEDSA-N
SMILES: C(O)(=O)[C@@H](CO)NC(OC(C)(C)C)=O

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.

Danger

H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.