CAS 856240-62-5 2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl 1-penten-1-yl]-, (3aR,4R,5R,6aS) (HCID 58700543)

基本情報

CAS: 856240-62-5
標準SMILES: OC1C[C@@H]2[C@@H](/C=C/[C@@H](O)CCc3ccccc3)[C@H](O)C[C@@H]2O1
InChIKey: RNAMHSGURHWMND-WDZZDFEJSA-N
分子式: C18H24O4
平均分子量: 304.4 g/mol

名称と識別子

優先名称: 2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl 1-penten-1-yl]-, (3aR,4R,5R,6aS)
IUPAC: (3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
英語名: CHEMPACIFIC 59929
分子式: C18H24O4
分子量: 304.38

名称と別名

856240-62-52H-Cyclopenta(b)furan-2,5-diol, hexahydro-4-((1E,3S)-3-hydroxy-5-phenyl 1-penten-1-yl)-, (3aR,4R,5R,6aS)2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl 1-penten-1-yl]-, (3aR,4R,5R,6aS)RefChem:484265807-842-5(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-2,5-diol (Bimatoprost Impurity)(3aR,4R,5R,6aS)-4-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2,5-diol(3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2,5-diolBimatoprost Impurity 21RNAMHSGURHWMND-WDZZDFEJSA-N2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-; 2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl]-, (3aR,4R,5R,6aS)-; (3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenyl-pent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol

名称をさらに表示

物性

構造計算による物性

XLogP: 1.8
極性表面積: 69.9 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 22
形式電荷: 0
複雑度: 377

物理化学的性質

沸点: 506.7 · 506.7±50.0 °C(Predicted)
比重(密度): 1.292 · 1.292±0.06 g/cm3(Predicted)
酸解離定数(Pka): 13.05 · 13.05±0.60(Predicted)

安全と法規制

GHS分類

GHS ClassificationNot Classified

危険有害性情報

Hazard Classes and CategoriesNot Classified

化学と産業

応用分野

使用(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-2,5-diol is the impurity in the synthesis of bimatoprost (B386800), an antiglaucoma drug and analog of prostaglandin.

上流・下流製品情報

下流製品

(5E)-ビマトプロストビマトプロスト

サプライヤー30 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

化合物ノート

読み込み中…

2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl 1-penten-1-yl]-, (3aR,4R,5R,6aS)