(2R)-2-(((tert-butoxy)carbonyl)amino)-3-methylbutanoic acid

HCID 637605

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 22838-58-0
표준 SMILES: CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: SZXBQTSZISFIAO-SSDOTTSWSA-N
분자식: C10H19NO4
평균 분자량: 217.26 g/mol
단동위원소 질량: 217.13140809

이름 및 식별자

우선 이름: (2R)-2-(((tert-butoxy)carbonyl)amino)-3-methylbutanoic acid
IUPAC: (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
영어명: Boc-D-Valine
분자식: C10H19NO4
분자량: 217.26

이름 및 동의어

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoic acid(2R)-2-(((tert-butoxy)carbonyl)amino)-3-methylbutanoic acidRefChem:396947813-553-5Boc-D-valine22838-58-0Boc-D-Val-OHN-Boc-D-valinetert-butoxycarbonyl-D-valineN-(tert-Butoxycarbonyl)-D-valineMFCD00038282N-Boc-D-Val-OH

이름 더 보기

D-Val-OHBOC-D-VALBoc-D-valine99%N-t-Boc-D-valineBoc-D-Val-OH 98%Boc-D-valine, 97+%

(R)-2-((tert-Butoxycarbonyl)amino)-3-methylbutanoic acid(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acidAC-8639AS-12729HY-41060N-[(1,1-dimethylethoxy)carbonyl]-D-Valine(R)-2-TERT-BUTOXYCARBONYLAMINO-3-METHYL-BUTYRIC ACID(R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-METHYLBUTANOIC ACID

데이터베이스 식별자

CAS: 22838-58-0
PubChem CID: 637605
DTXSID: DTXSID70348466
ChEMBL: CHEMBL1222170
EC Number: 813-553-5
Nikkaji: J1.287.887G

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 242

물리화학적 성질

녹는점: 164 · 164-165 °C
끓는 점: 357.82 °C · 357.82°C (rough estimate)
밀도: 1.1518 · 1.1518 (rough estimate)
굴절률: 6 ° · 6 ° (C=1, AcOH)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO및메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 4.01 · 4.01±0.10(Predicted)
색상: 하얀색
BRN: 2050408 · 2050408
주요 응용: 펩타이드 합성
InChI: InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey: SZXBQTSZISFIAO-SSDOTTSWSA-N
SMILES: C(O)(=O)[C@@H](C(C)C)NC(OC(C)(C)C)=O

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.