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119008-22-9 | Prosta-13,17-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S)- (9CI)
CAS No: 119008-22-9 Catalog No: AG000P26 MDL No:MFCD00216051
Product Description
Catalog Number:
AG000P26
Chemical Name:
Prosta-13,17-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S)- (9CI)
CAS Number:
119008-22-9
Molecular Formula:
C20H32O5
Molecular Weight:
352.4651
MDL Number:
MFCD00216051
IUPAC Name:
7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]heptanoic acid
InChI:
InChI=1S/C20H32O5/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/h3,6,12-13,15-17,19,21,23H,2,4-5,7-11,14H2,1H3,(H,24,25)/b6-3+,13-12+/t15-,16+,17+,19+/m0/s1
InChI Key:
OFPLGKUICBQJOS-NFRSEMAFSA-N
SMILES:
CCC=CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
2
Exact Mass:
352.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.471g/mol
Monoisotopic Mass:
352.225g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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