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Tafluprost Impurity 51

CAT: 1299-RM-T010651-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T010651-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2099033-66-4
Synonyms
4- (nitrooxy) butyl (E) -7- ((1R,2R,3R,5S) -3,5-dihydroxy-2- ((R) -3-hydroxy-5-phenylpentyl) cyclopentyl) hept-5-enoate
Molecular Formula
C27H41NO8
Molecular Weight
507.62
Target Alternative Name
Tafluprost
Product Name Synonym
4- (nitrooxy) butyl (E) -7- ((1R,2R,3R,5S) -3,5-dihydroxy-2- ((R) -3-hydroxy-5-phenylpentyl) cyclopentyl) hept-5-enoate

Chemical Information

(E)-Latanoprostene Bunod
CAS Number2099033-66-4
PubChem CID129187973
IUPAC Name4-nitrooxybutyl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
Molecular FormulaC27H41NO8
Molecular Weight507.6
XLogP4.4
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count36
Formal Charge0
Complexity646
SMILES
C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C/CCCC(=O)OCCCCO[N+](=O)[O-])CC[C@H](CCC2=CC=CC=C2)O)O
InChI
InChI=1S/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1+/t22-,23+,24+,25-,26+/m0/s1
InChIKey
LOVMMUBRQUFEAH-LMDVOQDDSA-N
Chemical Structure
2D Structure
2D structure of (E)-Latanoprostene Bunod
CAS: 2099033-66-4
CID: 129187973
Formula: C27H41NO8
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass507.28321727
Monoisotopic Mass507.28321727
Topological Polar Surface Area142 Ų
Heavy Atom Count36
Formal Charge0
Complexity646
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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