N-BOC-(3S,4S)-3,4-피롤리딘디올

tert-butyl (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylate

HCID 13329885

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 90481-33-7
표준 SMILES: CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)C1
InChIKey: MAXQBMZDVBHSLW-BQBZGAKWSA-N
분자식: C9H17NO4
평균 분자량: 203.24 g/mol
단동위원소 질량: 203.11575802

이름 및 식별자

우선 이름: tert-butyl (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylate
IUPAC: tert-butyl (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylate
현지명: N-BOC-(3S,4S)-3,4-피롤리딘디올
영어명: N-BOC-(3S,4S)-3,4-PYRROLIDINEDIOL
분자식: C9H17NO4
분자량: 203.24

이름 및 동의어

90481-33-7(3S,4S)-tert-butyl 3,4-dihydroxypyrrolidine-1-carboxylatetert-butyl (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylateMFCD11054832(3S,4S)-1-Boc-pyrrolidine-3,4-diol1163128-11-71-Pyrrolidinecarboxylic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester,(3S,4S)-TERT-BUTYL TRANS-3,4-DIHYDROXYPYRROLIDINE-1-CARBOXYLATEtrans-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate(3R,4R)-1-Boc-pyrrolidine-3,4-diolSCHEMBL72800DTXSID50537033

이름 더 보기

N-BOC-(3S,4S)-3,4-피롤리딘디올(3S,4S)-1-Boc-3,4-pyrrolidinediolN-BOC-(3S,4S)-3,4-PYRROLIDINEDIOL(3S,4S)-1-Boc-3,4-dihydroxypyrrolidinetert-butyl-(3S,4S)-dihydroxypyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester, (3S,4S)-

MAXQBMZDVBHSLW-BQBZGAKWSA-NAB8647MFCD18791198(3S,4S)-1-Boc-dihydroxypyrrolidineAKOS025290479AC-22422AS-44904SY039374

데이터베이스 식별자

CAS: 90481-33-7
PubChem CID: 13329885
DTXSID: DTXSID50537033
Nikkaji: J2.817.341E

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 70 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 213

물리화학적 성질

녹는점: 163 · 163-164℃ (ethyl acetate )
저장 조건: Store at room temperature
InChI: InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10-4-6(11)7(12)5-10/h6-7,11-12H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKey: MAXQBMZDVBHSLW-BQBZGAKWSA-N
SMILES: N1(C(OC(C)(C)C)=O)C[C@H](O)[C@@H](O)C1