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85026-51-3 | 15(R)-Iloprost
CAS No: 85026-51-3 Catalog No: AG004PYF MDL No:MFCD05863932
Product Description
Catalog Number:
AG004PYF
Chemical Name:
15(R)-Iloprost
CAS Number:
85026-51-3
Molecular Formula:
C22H32O3
Molecular Weight:
344.4877
MDL Number:
MFCD05863932
IUPAC Name:
5-[5-hydroxy-4-(4-methyloct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
InChI:
InChI=1S/C22H32O3/c1-3-4-8-16(2)9-7-11-19-20-14-17(10-5-6-12-22(24)25)13-18(20)15-21(19)23/h7,10-11,16,18-21,23H,5-6,8-9,12-15H2,1-2H3,(H,24,25)
InChI Key:
RKYUSKYNAZGMHK-UHFFFAOYSA-N
SMILES:
CC#CCC(CC=CC1C(O)CC2C1CC(=CCCCC(=O)O)C2)C
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.235g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.495g/mol
Monoisotopic Mass:
344.235g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
2
XLogP3:
3.9
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