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Lasofoxifene 2-Oxide

CAT: 0024-sc-488713Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-488713Size:2.5 mg
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CAS Number
366017-88-1

Chemical Information

Lasofoxifene 2-Oxide
CAS Number366017-88-1
PubChem CID10296135
IUPAC Name1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidin-2-one
Molecular FormulaC28H29NO3
Molecular Weight427.5
XLogP5.1
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity610
SMILES
C1CC(=O)N(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5
InChI
InChI=1S/C28H29NO3/c30-23-11-15-26-22(19-23)10-14-25(20-5-2-1-3-6-20)28(26)21-8-12-24(13-9-21)32-18-17-29-16-4-7-27(29)31/h1-3,5-6,8-9,11-13,15,19,25,28,30H,4,7,10,14,16-18H2/t25-,28+/m1/s1
InChIKey
YBFAWBLHDMBREC-NAKRPHOHSA-N
Chemical Structure
2D Structure
2D structure of Lasofoxifene 2-Oxide
CAS: 366017-88-1
CID: 10296135
Formula: C28H29NO3
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass427.21474379
Monoisotopic Mass427.21474379
Topological Polar Surface Area49.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes