(+/-)-BOC-알파-포스포노글리신트리메틸에스테르

Methyl ((tert-butoxy(hydroxy)methylidene)amino)(dimethoxyphosphoryl)acetate

HCID 397380CAS 89524-98-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C(NC(=O)OC(C)(C)C)P(=O)(OC)OC
InChIKey: LJHAPRKTPAREGO-UHFFFAOYSA-N
분자식: C10H20NO7P
평균 분자량: 297.24 g/mol
단동위원소 질량: 297.09773861

이름 및 식별자

우선 이름: Methyl ((tert-butoxy(hydroxy)methylidene)amino)(dimethoxyphosphoryl)acetate
IUPAC: methyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
현지명: (+/-)-BOC-알파-포스포노글리신트리메틸에스테르
영어명: (+/-)-Boc-alpha-phosphonoglycine trimethyl ester
분자식: C10H20NO7P
분자량: 297.24

이름 및 동의어

DTXSID9092032990548-94-0Methyl ((tert-butoxy(hydroxy)methylidene)amino)(dimethoxyphosphoryl)acetateMethyl {[tert-butoxy(hydroxy)methylidene]amino}(dimethoxyphosphoryl)acetateRefChem:1089160DTXCID2096281389524-98-1Methyl 2-((tert-butoxycarbonyl)amino)-2-(dimethoxyphosphoryl)acetate(+/-)-Boc-alpha-phosphonoglycine trimethyl estermethyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetateMFCD02178893Methyl N-Boc-2-(dimethylphosphono)glycinate

이름 더 보기

(+/-)-BOC-알파-포스포노글리신트리메틸에스테르N-(tert-Butoxycarbonyl)-phosphonoglycinetrimethylesterSW-36SWF-36SKL264(+/-)-Boc-aLBoc-GlyP(O)(OMe)2OMe(+/-)-Boc-alpha-phosphono...

methyl 2-{[(tert-butoxy)carbonyl]amino}-2-(dimethoxyphosphoryl)acetateN-Boc-2-Phosphonoglycine trimethyl esterN-BUTOXYCARBONYL TRIMETHYLPHOSPHONOGLYCINE( inverted exclamation markA)-Boc-|A-phosphonoglycine trimethyl esterMETHYL 2-(TERT-BUTOXYCARBONYLAMINO)-2-DIMETHOXYPHOSPHORYL-ACETATEC10H20NO7PN-(tert-Butoxycarbonyl)-2-phosphonoglycine Trimethyl EsterBoc-(+/-)-Phosphonoglycine trimethyl ester

데이터베이스 식별자

CAS: 89524-98-1、90548-94-0
PubChem CID: 397380
DTXSID: DTXSID50327936
ChEMBL: CHEMBL1982722
EC Number: 629-296-5
Nikkaji: J1.369.477J

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 100 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 19
형식 전하: 0
복잡도: 369

물리화학적 성질

녹는점: 67 · 67-71°C
끓는 점: 398.6 · 398.6±37.0 °C(Predicted)
밀도: 1.204 · 1.204±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 9.63 · 9.63±0.46(Predicted)
물리적 상태: 분말 또는 결정성 분말
색상: 흰색에서 황백색까지
수용성: 물에 불용성.
BRN: 4296364 · 4296364
주요 응용: 펩타이드 합성
InChI: InChI=1S/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13)
InChIKey: LJHAPRKTPAREGO-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(P(OC)(OC)=O)NC(OC(C)(C)C)=O

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (83.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (83.3%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29319090
risk_code: 25
hazard_code: T
safety_code: 45
포장분류: Ⅲ
위험 등급: 6.1
F 고인화성물질: 10
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects