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Lubiprostone Impurity F

CAT: 1299-RM-L021606-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L021606-01Size:10 mg
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CAS Number
54423-47-1
Synonyms
5-hydroxy-4- (hydroxymethyl) hexahydro-2H-cyclopenta[b]furan-2-one
Molecular Formula
C8H12O4
Molecular Weight
172.18
Target Alternative Name
Lubiprostone
Product Name Synonym
5-hydroxy-4- (hydroxymethyl) hexahydro-2H-cyclopenta[b]furan-2-one

Chemical Information

(3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one

(-)-corey lactone is a gamma-lactone.

CAS Number54423-47-1
PubChem CID2724453
IUPAC Name(3aR,4S,5R,6aS)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
Molecular FormulaC8H12O4
Molecular Weight172.18
XLogP-0.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity203
SMILES
C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)CO)O
InChI
InChI=1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2/t4-,5-,6-,7+/m1/s1
InChIKey
VYTZWRCSPHQSFX-GBNDHIKLSA-N
Chemical Structure
2D Structure
2D structure of (3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CAS: 54423-47-1
CID: 2724453
Formula: C8H12O4
MW: 172.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.18
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass172.07355886
Monoisotopic Mass172.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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