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(15S) -Latanoprost

CAT: 0926-FL24848-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FL24848-01Size:50 mg
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CAS Number
145773-22-4
Synonyms
(Z) -7-[ (1R,2R,3R,5S) -3,5-Dihydroxy-2-[ (3R) -3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid isopropyl ester
Smiles
CC (C) OC (=O) CCC/C=C\C[C@H]1[C@H] (C[C@H] ([C@@H]1CC[C@@H] (CCC2=CC=CC=C2) O) O) O
Molecular Formula
C26H40O5
Molecular Weight
432.59 g/mol
Controlled
No

Chemical Information

Latanoprost, (15S)-
CAS Number145773-22-4
PubChem CID10477939
IUPAC Namepropan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
Molecular FormulaC26H40O5
Molecular Weight432.6
XLogP4.3
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count31
Formal Charge0
Complexity526
SMILES
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@@H](CCC2=CC=CC=C2)O)O)O
InChI
InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22-,23-,24+,25-/m1/s1
InChIKey
GGXICVAJURFBLW-SCTZCWPJSA-N
Chemical Structure
2D Structure
2D structure of Latanoprost, (15S)-
CAS: 145773-22-4
CID: 10477939
Formula: C26H40O5
MW: 432.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.6
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass432.28757437
Monoisotopic Mass432.28757437
Topological Polar Surface Area87 Ų
Heavy Atom Count31
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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