(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
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![(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/880d48dc580f4547bfc495c419dbb80f.png "(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one")
(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
structure -
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CAS No:
39746-00-4
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Formula:
C15H16O5
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Chemical Name:
(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
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Synonyms:
2H-Cyclopenta[b]furan-2-one,5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-,(3aR,4S,5R,6aS)-;2H-Cyclopenta[b]furan-2-one,5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-,[3aR-(3aα,4α,5β,6aα)]-;(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one;PGX 4;(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate;(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate;(-)-Corey lactone benzoate;50889-28-6;78640-11-6;1098259-64-3
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CAS No:
(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one Basic Attributes
276.28
276.28
254-615-6
29321900
Characteristics
72.8
1.5
Colorless crystalline powder
1.3±0.1 g/cm3
116-120 °C
481.9°C at 760 mmHg
183.3±18.1 °C
1.588
-20°C
-80 º (c=0.8, CHCl3 25 ºC)
(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one Use and Manufacturing
(-)-Corey Lactone Benzoate is a corey lactone derivative used in the preparation prostaglandin analogues for use as vasolidator as well as EP4 receptor agonists.
Computed Properties
Molecular Weight:276.28
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:276.09977361
Monoisotopic Mass:276.09977361
Topological Polar Surface Area:72.8
Heavy Atom Count:20
Complexity:388
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
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