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17968-82-0 | Prost-13-en-1-oic acid, 9,15-dihydroxy-11-oxo-, (9α,13E,15S)-
CAS No: 17968-82-0 Catalog No: AG00276E MDL No:MFCD00216039
Product Description
Catalog Number:
AG00276E
Chemical Name:
Prost-13-en-1-oic acid, 9,15-dihydroxy-11-oxo-, (9α,13E,15S)-
CAS Number:
17968-82-0
Molecular Formula:
C20H34O5
Molecular Weight:
354.4810
MDL Number:
MFCD00216039
IUPAC Name:
7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoic acid
InChI:
InChI=1S/C20H34O5/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/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1
InChI Key:
CIMMACURCPXICP-PNQRDDRVSA-N
SMILES:
CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O
UNII:
FOT50Z88GW
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
354.241g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.487g/mol
Monoisotopic Mass:
354.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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