tert-Butoxycarbonyl-D-leucine

HCID 637604CAS 16937-99-8

기본 정보

표준 SMILES: CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: MDXGYYOJGPFFJL-MRVPVSSYSA-N
분자식: C11H21NO4
평균 분자량: 231.29 g/mol
단동위원소 질량: 231.14705815

이름 및 식별자

우선 이름: tert-Butoxycarbonyl-D-leucine
IUPAC: (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
영어명: BOC-D-Leucine monohydrate
분자식: C11H21NO4
분자량: 231.29

이름 및 동의어

16937-99-8(2R)-2-{[(Tert-Butoxy)Carbonyl]Amino}-4-Methylpentanoic Acidtert-Butoxycarbonyl-D-leucineDTXSID501308165(2R)-2-(((tert-butoxy)carbonyl)amino)-4-methylpentanoic acidRefChem:891500DTXCID401738080834-861-6Boc-D-Leu-OHBoc-D-leucineN-Boc-D-leucineN-(tert-Butoxycarbonyl)-D-leucine

이름 더 보기

BOC-D-LEUN-(tert-Butoxycarbonyl)-D-leucine HydrateBOC-D-LeuClneBOC-D-LEU-OH2OBOC-D-LEUCINE-OHN-T-BOC-D-LEUCINE

(tert-Butoxycarbonyl)-D-leucineD-LEUCINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-(2R)-2-(tert-Butoxycarbonylamino)-4-methyl-pentanoic acidMFCD00038294(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidM03296(R)-2-(tert-butoxycarbonylamino)-4-methylpentanoic acid(R)-2-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid

데이터베이스 식별자

CAS: 16937-99-8
PubChem CID: 637604
DTXSID: DTXSID501308165
ChEMBL: CHEMBL1222066
EC Number: 834-861-6
Nikkaji: J724.101A

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 85 · 85-87 °C(lit.)
끓는 점: 356 · 356.0±25.0 °C(Predicted)
밀도: 1.061 · 1.061±0.06 g/cm3(Predicted)
굴절률: 25 ° · 25 ° (C=2, AcOH)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 아세트산(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.02 · 4.02±0.21(Predicted)
색상: 하얀색
BRN: 2331060 · 2331060
주요 응용: 펩타이드 합성
InChI: InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey: MDXGYYOJGPFFJL-MRVPVSSYSA-N
SMILES: C(O)(=O)[C@@H](CC(C)C)NC(OC(C)(C)C)=O

화학적 성질

White crystalline

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk: 3
HS 번호: 29241990
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도N-Boc-D-leucine is an N-Boc-protected form of D-Leucine (L330150). D-Leucine is an unnatural isomer of L-Leucine (L330110) that acts as an auto-inhibitor of lactic streptococci in culture. D-Leucine causes analgesia in humans and also exhibits inhibitory activity in bacterial cell cultures.