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Latanoprost lactone diol

CAT: 0013-GTR19206212-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206212-01Size:10 mg
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Description
Latanoprost lactone diol is a key synthetic intermediate for Latanoprost, a prostaglandin F2α analogue and FP prostanoid receptor agonist used in ophthalmic research. It is applied in studies investigating intraocular pressure reduction, utilizing both in vitro receptor binding assays and in vivo animal models of glaucoma.
CAS Number
145667-75-0
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (C[C@H] (CCC1=CC=CC=C1) O) [C@@H]2[C@@]3 ([C@] (C[C@H]2O) (OC (=O) C3) [H]) [H]
Molecular Formula
C18H24O4
Molecular Weight
304.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3aR,4R,5R,6aS)-5-hydroxy-4-[(3R)-3-hydroxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Latanoprost Lactone Diol is a gamma-lactone.

CAS Number145667-75-0
PubChem CID10267038
IUPAC Name(3aR,4R,5R,6aS)-5-hydroxy-4-[(3R)-3-hydroxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
Molecular FormulaC18H24O4
Molecular Weight304.4
XLogP2.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity377
SMILES
C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)CC[C@H](CCC3=CC=CC=C3)O)O
InChI
InChI=1S/C18H24O4/c19-13(7-6-12-4-2-1-3-5-12)8-9-14-15-10-18(21)22-17(15)11-16(14)20/h1-5,13-17,19-20H,6-11H2/t13-,14+,15+,16+,17-/m0/s1
InChIKey
CQVHXVLSHMRWEC-UTSKFRMZSA-N
Chemical Structure
2D Structure
2D structure of (3aR,4R,5R,6aS)-5-hydroxy-4-[(3R)-3-hydroxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CAS: 145667-75-0
CID: 10267038
Formula: C18H24O4
MW: 304.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass304.16745924
Monoisotopic Mass304.16745924
Topological Polar Surface Area66.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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