Prostaglandin Impurity 12

CAT: 1299-RM-P151472-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P151472-01Size:10 mg

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CAS Number

54483-30-6

Synonyms

(1aS,2aR,5aR,5bR) -hexahydro-4H-oxireno[2',3':3,4]cyclopenta[1,2-b]furan-4-one

Molecular Formula

C7H8O3

Molecular Weight

140.14

Target Alternative Name

Prostaglandin

Product Name Synonym

(1aS,2aR,5aR,5bR) -hexahydro-4H-oxireno[2',3':3,4]cyclopenta[1,2-b]furan-4-one

Chemical Information

(1aS,2aR,5aR,5bR)-Tetrahydro-1aH-oxireno[2',3':3,4]cyclopenta[1,2-b]furan-4(5bH)-one

CAS Number	54483-30-6
PubChem CID	12701296
IUPAC Name	(1R,2R,4S,6R)-3,7-dioxatricyclo[4.3.0.02,4]nonan-8-one
Molecular Formula	C7H8O3
Molecular Weight	140.14
XLogP	0
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	201

SMILES

C1[C@@H]2[C@@H](CC(=O)O2)[C@@H]3[C@H]1O3

InChI

InChI=1S/C7H8O3/c8-6-1-3-4(9-6)2-5-7(3)10-5/h3-5,7H,1-2H2/t3-,4-,5+,7-/m1/s1

InChIKey

MUIDESAARNCREM-YCHQMNKZSA-N

Chemical Structure

2D Structure

CAS: 54483-30-6

CID: 12701296

Formula: C7H8O3

MW: 140.14

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	140.14
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	140.047344113
Monoisotopic Mass	140.047344113
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes