Oseltamivir Impurity 120

CAT: 1299-RM-O192120-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O192120-01Size:10 mg

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CAS Number

204254-98-8

Synonyms

(3R,4S,5R) -ethyl 5-azido-4-hydroxy-3- (pentan-3-yloxy) cyclohex-1-enecarboxylate

Molecular Formula

C14H23N3O4

Molecular Weight

297.35

Target Alternative Name

Oseltamivir

Product Name Synonym

(3R,4S,5R) -ethyl 5-azido-4-hydroxy-3- (pentan-3-yloxy) cyclohex-1-enecarboxylate

Chemical Information

Ethyl (3R,4S,5R)-5-azido-3-(1-ethylpropoxy)-4-hydroxycyclohex-1-ene-1-carboxylate

CAS Number	204254-98-8
PubChem CID	9796234
IUPAC Name	ethyl (3R,4S,5R)-5-azido-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
Molecular Formula	C14H23N3O4
Molecular Weight	297.35
XLogP	2.9
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	21
Formal Charge	0
Complexity	428

SMILES

CCC(CC)O[C@@H]1C=C(C[C@H]([C@@H]1O)N=[N+]=[N-])C(=O)OCC

InChI

InChI=1S/C14H23N3O4/c1-4-10(5-2)21-12-8-9(14(19)20-6-3)7-11(13(12)18)16-17-15/h8,10-13,18H,4-7H2,1-3H3/t11-,12-,13+/m1/s1

InChIKey

ZVXCZNLVOFIJMG-UPJWGTAASA-N

Chemical Structure

2D Structure

CAS: 204254-98-8

CID: 9796234

Formula: C14H23N3O4

MW: 297.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.35
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	297.16885622
Monoisotopic Mass	297.16885622
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	428
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