CAS 90481-33-7 tert-butyl (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylate (HCID 13329885)

基本情報

CAS: 90481-33-7
標準SMILES: CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)C1
InChIKey: MAXQBMZDVBHSLW-BQBZGAKWSA-N
分子式: C9H17NO4
平均分子量: 203.24 g/mol
単同位体質量: 203.11575802

名称と識別子

優先名称: tert-butyl (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylate
IUPAC: tert-butyl (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylate
英語名: N-BOC-(3S,4S)-3,4-PYRROLIDINEDIOL
分子式: C9H17NO4
分子量: 203.24

名称と別名

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

名称をさらに表示

(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

データベース識別子

物性

構造計算による物性

XLogP: -0.4
極性表面積: 70 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 213

物理化学的性質

融点: 163 · 163-164℃ (ethyl acetate )
貯蔵温度: 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