200,000+ products from a single source!
sales@angenechem.com
133161-96-3 | Cyclopentanehexanoic acid, 2-[(2Z)-4-carboxy-2-buten-1-yl]-3,5-dihydroxy-γ-oxo-, (1R,2R,3S,5S)-
CAS No: 133161-96-3 Catalog No: AG0014CM MDL No:
Product Description
Catalog Number:
AG0014CM
Chemical Name:
Cyclopentanehexanoic acid, 2-[(2Z)-4-carboxy-2-buten-1-yl]-3,5-dihydroxy-γ-oxo-, (1R,2R,3S,5S)-
CAS Number:
133161-96-3
Molecular Formula:
C16H24O7
Molecular Weight:
328.3576
IUPAC Name:
6-[(1R,2R,3S,5S)-2-[(Z)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
InChI:
InChI=1S/C16H24O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-14,18-19H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+,14+/m1/s1
InChI Key:
XSGSZQDCVYMZGQ-YQQXMBKZSA-N
SMILES:
O=C(CC[C@H]1[C@@H](O)C[C@@H]([C@@H]1C/C=C\CC(=O)O)O)CCC(=O)O
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
328.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
328.361g/mol
Monoisotopic Mass:
328.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Increased levels of prostaglandin D(2) suggest macrophage activation in patients with primary pulmonary hypertension. | Chest 20011101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.