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10164-73-5

10164-73-5 | Prost-13-en-1-oic acid, 9,11,15-trihydroxy-, (9β,11α,13E,15S)-

CAS No: 10164-73-5 Catalog No: AG00050X MDL No:MFCD00135223

Product Description

Catalog Number:
AG00050X
Chemical Name:
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-, (9β,11α,13E,15S)-
CAS Number:
10164-73-5
Molecular Formula:
C20H36O5
Molecular Weight:
356.4968
MDL Number:
MFCD00135223
IUPAC Name:
7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid
InChI:
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18+,19+/m0/s1
InChI Key:
DZUXGQBLFALXCR-JQXWHSLNSA-N
SMILES:
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1CCCCCCC(=O)O)O)O

Properties

Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
1  
Exact Mass:
356.256g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
356.503g/mol
Monoisotopic Mass:
356.256g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Literature

Title Journal
Vasodilatory and electrophysiological actions of 8-iso-prostaglandin E2 in porcine coronary artery. The Journal of pharmacology and experimental therapeutics 20030601

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