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AL-8810 10mg

CAT: 0628-A24200-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A24200-10Size:10 mg
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CAS Number
246246-19-5

Chemical Information

(5Z)-7-((1R,2R,3S,5S)-2-((1E,3R)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl)-3-fluoro-5-hydroxycyclopentyl)-5-heptenoic acid

AL 8810 is a long-chain fatty acid.

CAS Number246246-19-5
PubChem CID5311238
IUPAC Name(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid
Molecular FormulaC24H31FO4
Molecular Weight402.5
XLogP3.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity575
SMILES
C1[C@@H]([C@@H]([C@H]([C@H]1F)/C=C/[C@@H](C2CC3=CC=CC=C3C2)O)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C24H31FO4/c25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18/h1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29)/b3-1-,12-11+/t19-,20-,21+,22+,23+/m1/s1
InChIKey
WTYSXBKKVNOOIX-JTGCGUAKSA-N
Chemical Structure
2D Structure
2D structure of (5Z)-7-((1R,2R,3S,5S)-2-((1E,3R)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl)-3-fluoro-5-hydroxycyclopentyl)-5-heptenoic acid
CAS: 246246-19-5
CID: 5311238
Formula: C24H31FO4
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass402.22063763
Monoisotopic Mass402.22063763
Topological Polar Surface Area77.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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