Epoxypiperolide

CAT: 0013-GTR19228817-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19228817-02Size:2 mg

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Description

Epoxypiperolide

CAS Number

40072-82-0

Smiles

CO\C ([C@@H]1O[C@H]1c1ccccc1) =C1\OC (=O) C=C1OC

Molecular Formula

C15H14O5

Molecular Weight

274.272

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-Methoxy-5-[(Z)-methoxy[(2S,3R)-3-phenyloxiranyl]methylene]-2(5H)-furanone

CAS Number	40072-82-0
PubChem CID	23955894
IUPAC Name	(5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one
Molecular Formula	C15H14O5
Molecular Weight	274.27
XLogP	1.2
Topological Polar Surface Area	57.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	459

SMILES

COC\1=CC(=O)O/C1=C(\[C@H]2[C@@H](O2)C3=CC=CC=C3)/OC

InChI

InChI=1S/C15H14O5/c1-17-10-8-11(16)19-13(10)14(18-2)15-12(20-15)9-6-4-3-5-7-9/h3-8,12,15H,1-2H3/b14-13+/t12-,15+/m0/s1

InChIKey

RTNGMIUMJUOABT-ONKYJICLSA-N

Chemical Structure

2D Structure

CAS: 40072-82-0

CID: 23955894

Formula: C15H14O5

MW: 274.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.27
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	274.08412354
Monoisotopic Mass	274.08412354
Topological Polar Surface Area	57.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	459
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5790391	Epoxypiperolide