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71097-83-1 | Prosta-5,13-dien-1-oicacid, 5-cyano-6,9-epoxy-11,15-dihydroxy-16-methyl-, (5E,9a,11a,13E,15S)-
CAS No: 71097-83-1 Catalog No: AG005E8Y MDL No:
Product Description
Catalog Number:
AG005E8Y
Chemical Name:
Prosta-5,13-dien-1-oicacid, 5-cyano-6,9-epoxy-11,15-dihydroxy-16-methyl-, (5E,9a,11a,13E,15S)-
CAS Number:
71097-83-1
Molecular Formula:
C22H33NO5
Molecular Weight:
391.5011
IUPAC Name:
(5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]-5-cyanopentanoic acid
InChI:
InChI=1S/C22H33NO5/c1-3-4-6-14(2)18(24)10-9-16-17-11-20(28-21(17)12-19(16)25)15(13-23)7-5-8-22(26)27/h9-10,14,16-19,21,24-25H,3-8,11-12H2,1-2H3,(H,26,27)/b10-9+,20-15+/t14?,16-,17-,18-,19-,21+/m1/s1
InChI Key:
OJIGXQJDLFUVFM-MBLRWRSDSA-N
SMILES:
CCCCC([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C(/CCCC(=O)O)\C#N)/O2)O)C
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
2
Exact Mass:
391.236g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
391.508g/mol
Monoisotopic Mass:
391.236g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Characterization of a transporting system in rat hepatocytes. Studies with competitive and non-competitive inhibitors of phalloidin transport. | Biochimica et biophysica acta 19860807 |
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