Prostaglandin Impurity 7

CAT: 1299-RM-P151467-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P151467-01Size:10 mg

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CAS Number

114826-79-8

Synonyms

(3aS,4R,5S,6aR) -5- (benzyloxy) -4- ((benzyloxy) methyl) hexahydro-2H-cyclopenta[b]furan-2-one

Molecular Formula

C22H24O4

Molecular Weight

352.43

Target Alternative Name

Prostaglandin

Product Name Synonym

(3aS,4R,5S,6aR) -5- (benzyloxy) -4- ((benzyloxy) methyl) hexahydro-2H-cyclopenta[b]furan-2-one

Chemical Information

(3aS,4R,5S,6aR)-5-(Benzyloxy)-4-((benzyloxy)methyl)hexahydro-2H-cyclopenta[b]furan-2-one

CAS Number	114826-79-8
PubChem CID	14002042
IUPAC Name	(3aS,4R,5S,6aR)-5-phenylmethoxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
Molecular Formula	C22H24O4
Molecular Weight	352.4
XLogP	3.3
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	453

SMILES

C1[C@@H]2[C@@H](CC(=O)O2)[C@@H]([C@H]1OCC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C22H24O4/c23-22-11-18-19(15-24-13-16-7-3-1-4-8-16)20(12-21(18)26-22)25-14-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19-,20-,21+/m0/s1

InChIKey

LGJKDUUDZFLNNE-XSDIEEQYSA-N

Chemical Structure

2D Structure

CAS: 114826-79-8

CID: 14002042

Formula: C22H24O4

MW: 352.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	352.4
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	352.16745924
Monoisotopic Mass	352.16745924
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	453
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