200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 85235-11-6
85235-11-6 | Prosta-5,12,14-trien-1-oicacid, 9-hydroxy-11-oxo-, (5Z,9a,12E,14E)-
CAS No: 85235-11-6 Catalog No: AG004PU9 MDL No:MFCD00797638
Product Description
Catalog Number:
AG004PU9
Chemical Name:
Prosta-5,12,14-trien-1-oicacid, 9-hydroxy-11-oxo-, (5Z,9a,12E,14E)-
CAS Number:
85235-11-6
Molecular Formula:
C20H30O4
Molecular Weight:
334.4498
MDL Number:
MFCD00797638
IUPAC Name:
(Z)-7-[(2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid
InChI:
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17?,19-/m0/s1
InChI Key:
QUGBPWLPAUHDTI-DITDKSCUSA-N
SMILES:
CCCCC/C=C/C=C\1/C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
3
Exact Mass:
334.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.456g/mol
Monoisotopic Mass:
334.214g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.