AG00I7T3

39746-00-4 | 2H-Cyclopenta[b]furan-2-one,5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, (3aR,4S,5R,6aS)-

AG00I7T3

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CAS Number	39746-00-4
Catalog Number	AG00I7T3(AGN-PC-0RKOA1)
Chemical Name	2H-Cyclopenta[b]furan-2-one,5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, (3aR,4S,5R,6aS)-
EC Number	254-615-6
IUPAC Name	[(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
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
InChI Key	OBRRYUZUDKVCOO-FVCCEPFGSA-N
MDL Number	MFCD00674102
Molecular Formula	C15H16O5
Molecular Weight	276.2845
SMILES	O=C(O[C@H](C1)[C@H](CO)[C@](C2)([H])[C@@]1([H])OC2=O)C3=CC=CC=C3
Synonyms	(-)-Corey lactone benzoate, 39746-00-4, Corey lactone benzoate, (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate, (3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one, (1S,5R,6S,7R)-7-benzoyloxy-6-hydroxymethyl-2-oxabicyclo[3.3.0]octan-3-one, (3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopentafuran-2-one, [(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate, OBRRYUZUDKVCOO-FVCCEPFGSA-N, AK160816, Benzoyl-Corey lactone, PubChem19127, AC1MC4YH, PGX 4, SCHEMBL2973096, ZINC4261955, MFCD00674102, AKOS024462902, AC-6091, RP17611, (-)-corey lactone benzoate; (3aR,4S,5R,6aS)-(-)-5-(Benzoyloxy)-hexahydro-4(-hydroxymethyl)-2H-cyclopenta[b]furan-2-one, AJ-49819, AN-10380, AS-16023, BC222397, R882, SC-19634, TL8002869, CS-0003842, ST24034436, 746B004, (1S,5R,6S,7R)-6-hydroxymethyl-7-benzoyloxy-2-oxabicyclo[3.3.0]octan-3-one, (3aR,4S, 5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate, 2H-Cyclopenta[b]furan-2-one,5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, (3aR,4S,5R,6aS)-, (3aR,4S,5R,6aS)-(-)-5-(benzoyloxy)-hexahydro-4(-hydroxymethyl)-2H-cyclopenta[b]furan-2-one, [3aR-(3a|A,4|A,5|A,6a|A)]-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one, 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-(hydroxymethyl)-, (3aR,4S,5R,6aS)-, Benzoyl corey lactone, COREY LACTONE, C15H16O5, EINECS 254-615-6, ZINC04261955, C15-H16-O5, CID2724454, C2605, - -5- -hexahydro-4 -2H-cyclopenta[b]furan-2-one, (-)-Corey lactone benzoate, 97% - 100MG 100mg, 5-(Benzoyloxy) hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one, (3aalpha,4alpha,5beta,6aalpha)-(+/-)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one, (3aR-(3aalpha,4alpha,5beta,6aalpha))-Hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta(b)furan-5-yl benzoate, [3aR-(3aalpha,4alpha,5beta,6aalpha)]-hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl benzoate, 81244-64-6,

Complexity	388
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	276.1g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.288g/mol
Monoisotopic Mass	276.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number