시애틀59929

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
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기본 정보

CAS
856240-62-5
표준 SMILES
OC1C[C@@H]2[C@@H](/C=C/[C@@H](O)CCc3ccccc3)[C@H](O)C[C@@H]2O1
InChIKey
RNAMHSGURHWMND-WDZZDFEJSA-N
분자식
C18H24O4
평균 분자량
304.4 g/mol

이름 및 식별자

우선 이름
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
현지명
시애틀59929
영어명
CHEMPACIFIC 59929
분자식
C18H24O4
분자량
304.38

이름 및 동의어

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
이름 더 보기
시애틀59929lactoltriolCHEMPACIFIC 59929Bemeprost Impurity 15Bimatoprost Impurity 16(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-2,5-diol(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]fur2H-CYCLOPENTA[B]FURAN-2,5-DIOL, HEXAHYDRO-4-[(1E,3S)-3-HYDROXY-5-PHENYL-1-PENTENYL]-, (3AR,4R,5R,6AS)-
Bimatoprost Impurity QWM5RQU4N2RSCHEMBL12076251WLZ3886(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-2,5-diol (Bim2H-Cyclopenta[b]furan-2,5-diol, hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-enyl)hexa hydro-2H-cyclopenta[b]furan-2,5-diolHexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-2,5-diol, (3aR,4R,5R,6aS)-

데이터베이스 식별자

CAS
856240-62-5
PubChem CID
58700543
UNII
WM5RQU4N2R
EC Number
807-842-5

물성

구조 계산 물성

XLogP
1.8
극성 표면적
69.9 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
22

물리화학적 성질

끓는 점
506.7 · 506.7±50.0 °C(Predicted)
밀도
1.292 · 1.292±0.06 g/cm3(Predicted)
산도 계수 (pKa)
13.05 · 13.05±0.60(Predicted)

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

화학 및 산업

응용 분야

용도(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.

상·하류 제품 정보

공급사30 곳

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