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(-)-Corey Lactone Benzoate

CAT: 0572-TRC-C694990-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C694990-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39746-00-4
Synonyms
(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one; [3aR-(3aalpha,4alpha,5beta,6aalpha)]-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one; PGX 4;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
OC[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)c3ccccc3
Molecular Formula
C15H16O5
Molecular Weight
276.28
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CAS Number39746-00-4
PubChem CID2724454
IUPAC Name[(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
Molecular FormulaC15H16O5
Molecular Weight276.28
XLogP1.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity388
SMILES
C1[C@H]2[C@H](CC(=O)O2)[C@H]([C@@H]1OC(=O)C3=CC=CC=C3)CO
InChI
InChI=1S/C15H16O5/c16-8-11-10-6-14(17)19-12(10)7-13(11)20-15(18)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2/t10-,11-,12+,13-/m1/s1
InChIKey
OBRRYUZUDKVCOO-FVCCEPFGSA-N
Chemical Structure
2D Structure
2D structure of (3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CAS: 39746-00-4
CID: 2724454
Formula: C15H16O5
MW: 276.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.28
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass276.09977361
Monoisotopic Mass276.09977361
Topological Polar Surface Area72.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity388
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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