CAS 85280-90-6 | Prosta-5,13-dien-1-oicacid, 9,15-dihydroxy-15-methyl-11-oxo-, (5Z,9a,13E,15S)- | CAS Number 85280-90-6

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 85280-90-6

85280-90-6 | Prosta-5,13-dien-1-oicacid, 9,15-dihydroxy-15-methyl-11-oxo-, (5Z,9a,13E,15S)-

CAS No: 85280-90-6 Catalog No: AG004UYX MDL No:MFCD00216046

Product Description

Catalog Number:

AG004UYX

Chemical Name:

Prosta-5,13-dien-1-oicacid, 9,15-dihydroxy-15-methyl-11-oxo-, (5Z,9a,13E,15S)-

CAS Number:

85280-90-6

Molecular Formula:

C21H34O5

Molecular Weight:

366.4917

MDL Number:

MFCD00216046

IUPAC Name:

(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid

InChI:

InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21+/m1/s1

InChI Key:

CTXLUMAOXBULOZ-QEQARHSSSA-N

SMILES:

CCCCC[C@@](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)(O)C

UNII:

GLI7N28B31

Properties

Complexity:

511

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

366.241g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

366.498g/mol

Monoisotopic Mass:

366.241g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
15R-methyl-prostaglandin D2 is a potent and selective CRTH2/DP2 receptor agonist in human eosinophils.	The Journal of pharmacology and experimental therapeutics 20030101
Molecular pharmacology of the human prostaglandin D2 receptor, CRTH2.	British journal of pharmacology 20021201