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Latanoprost Impurity 15

CAT: 1299-RM-L012016-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L012016-01Size:10 mg
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CAS Number
1193782-16-9
Synonyms
(Z) -N- (1,3-dihydroxypropan-2-yl) -7- ((1R,2R,3R) -3-hydroxy-2- ((S, E) -3-hydroxy-5-phenylpent-1-en-1-yl) -5-oxocyclopentyl) hept-5-enamide
Molecular Formula
C26H37NO6
Molecular Weight
459.58
Target Alternative Name
Latanoprost
Product Name Synonym
(Z) -N- (1,3-dihydroxypropan-2-yl) -7- ((1R,2R,3R) -3-hydroxy-2- ((S, E) -3-hydroxy-5-phenylpent-1-en-1-yl) -5-oxocyclopentyl) hept-5-enamide

Chemical Information

Dihydroxypropyl didehydrolatanoprostamide
CAS Number1193782-16-9
PubChem CID45139032
IUPAC Name(Z)-N-(1,3-dihydroxypropan-2-yl)-7-[(1R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enamide
Molecular FormulaC26H37NO6
Molecular Weight459.6
XLogP1.2
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count33
Formal Charge0
Complexity639
SMILES
C1[C@H](C([C@H](C1=O)C/C=C\CCCC(=O)NC(CO)CO)/C=C/[C@H](CCC2=CC=CC=C2)O)O
InChI
InChI=1S/C26H37NO6/c28-17-20(18-29)27-26(33)11-7-2-1-6-10-22-23(25(32)16-24(22)31)15-14-21(30)13-12-19-8-4-3-5-9-19/h1,3-6,8-9,14-15,20-23,25,28-30,32H,2,7,10-13,16-18H2,(H,27,33)/b6-1-,15-14+/t21-,22+,23?,25+/m0/s1
InChIKey
NYRITJWASKBGOC-YNIOAQSFSA-N
Chemical Structure
2D Structure
2D structure of Dihydroxypropyl didehydrolatanoprostamide
CAS: 1193782-16-9
CID: 45139032
Formula: C26H37NO6
MW: 459.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight459.6
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass459.26208790
Monoisotopic Mass459.26208790
Topological Polar Surface Area127 Ų
Heavy Atom Count33
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes