Oseltamivir Impurity 106

CAT: 1299-RM-O192106-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O192106-01Size:10 mg

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CAS Number

221386-93-2

Synonyms

(1S,5R,6S) -ethyl 5- (methoxymethoxy) -7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

Molecular Formula

C11H16O5

Molecular Weight

228.24

Target Alternative Name

Oseltamivir

Product Name Synonym

(1S,5R,6S) -ethyl 5- (methoxymethoxy) -7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

Chemical Information

ethyl (1S,5R,6S)-5-(methoxymethoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

CAS Number	221386-93-2
PubChem CID	11715578
IUPAC Name	ethyl (1S,5R,6S)-5-(methoxymethoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
Molecular Formula	C11H16O5
Molecular Weight	228.24
XLogP	0.5
Topological Polar Surface Area	57.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	299

SMILES

CCOC(=O)C1=C[C@H]([C@@H]2[C@H](C1)O2)OCOC

InChI

InChI=1S/C11H16O5/c1-3-14-11(12)7-4-8(15-6-13-2)10-9(5-7)16-10/h4,8-10H,3,5-6H2,1-2H3/t8-,9+,10-/m1/s1

InChIKey

GXHDPVWKQGHHQE-KXUCPTDWSA-N

Chemical Structure

2D Structure

CAS: 221386-93-2

CID: 11715578

Formula: C11H16O5

MW: 228.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.24
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	228.09977361
Monoisotopic Mass	228.09977361
Topological Polar Surface Area	57.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes