기본 정보
- CAS
246510-69-0- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CO- InChIKey
UVYCLXXPQAPHKR-HUUCEWRRSA-N- 분자식
- C18H26N2O5
- 평균 분자량
- 350.4 g/mol
- 단동위원소 질량
- 350.18417193
이름 및 식별자
- 우선 이름
- (3S,4S)-Benzyl 3-((tert-butoxycarbonyl)amino)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
- IUPAC
- benzyl (3S,4S)-3-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
- 영어명
- (3S,4S)-1-N-CBZ-3-(N-BOC-AMINO)-4-HYDROXYMETHYLPYRROLIDINE
- 분자식
- C18H26N2O5
- 분자량
- 350.41
이름 및 동의어
246510-69-0(3S,4S)-Benzyl 3-((tert-butoxycarbonyl)amino)-4-(hydroxymethyl)pyrrolidine-1-carboxylatebenzyl (3S,4S)-3-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylatebenzyl (3S,4S)-3-((tert-butoxycarbonyl)amino)-4-(hydroxymethyl)pyrrolidine-1-carboxylate246510-67-8MFCD28369193Benzyl (3S,4S)-3-[(tert-butoxycarbonyl)amino]-4-(hydroxymethyl)pyrrolidine-1-carboxylate(3S,4S)-1-N-CBZ-3-(N-BOC-AMINO)-4-HYDROXYMETHYLPYRROLIDINE(3S,4S)-3-tert-Butoxycarbonylamino-4-hydroxymethyl-pyrrolidine-1-carboxylic acid benzyl esterSCHEMBL650755DTXSID40635279WLZ4313
이름 더 보기
(3S,4S)-1-N-CBZ-3-(N-BOC-AMINO)-4-HYDROXYMETbenzyl 3-(tert-butoxycarbonylamino)-4-(hydroxymethyl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(hydroxymethyl)-, phenylmethyl ester, (3S,4S)-
YQF4217benzyl cis-3-{[(tert-butoxy)carbonyl]amino}-4-(hydroxymethyl)pyrrolidine-1-carboxylatecis-Benzyl 3-((tert-butoxycarbonyl)amino)-4-(hydroxymethyl)pyrrolidine-1-carboxylateUVYCLXXPQAPHKR-HUUCEWRRSA-N(3S,4S)-1-Cbz-3-(Boc-amino)-4-(hydroxymethyl)pyrrolidineMFCD09991638SY013069(+/-)-cis-benzyl 3-((tert-butoxycarbonyl)amino)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
데이터베이스 식별자
- CAS
246510-69-0- PubChem CID
- 23635905
- DTXSID
DTXSID40635279
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 88.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 457
물리화학적 성질
- 녹는점
- 149 · 149-150.8 °C
- 끓는 점
- 510.534 · 510.534±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.22 · 1.220±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.01 · 12.010±0.40(predicted)
화학 및 산업
공급사7 곳
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
宁波苯康基石医药科技有限公司15990591583
韶远科技(上海)有限公司4000665055 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
관련 반응
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