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14152-28-4

14152-28-4 | Prosta-10,13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-

CAS No: 14152-28-4 Catalog No: AG001GJ2 MDL No:MFCD00077858

Product Description

Catalog Number:
AG001GJ2
Chemical Name:
Prosta-10,13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-
CAS Number:
14152-28-4
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
MDL Number:
MFCD00077858
IUPAC Name:
7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
InChI:
InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
InChI Key:
BGKHCLZFGPIKKU-LDDQNKHRSA-N
SMILES:
CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O
UNII:
VYR271N44P

Properties

Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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