Baloxavir Impurity 137

CAT: 1299-RM-B011652-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B011652-01Size:10 mg

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CAS Number

87324-01-4

Synonyms

Methyl (S) -tetrahydrofuran-2-carboxylate

Molecular Formula

C6H10O3

Molecular Weight

130.14

Target Alternative Name

Baloxavir

Chemical Information

Methyl tetrahydro-2-furancarboxylate, (S)-

CAS Number	87324-01-4
PubChem CID	12483582
IUPAC Name	methyl (2S)-oxolane-2-carboxylate
Molecular Formula	C6H10O3
Molecular Weight	130.14
XLogP	0.5
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	111

SMILES

COC(=O)[C@@H]1CCCO1

InChI

InChI=1S/C6H10O3/c1-8-6(7)5-3-2-4-9-5/h5H,2-4H2,1H3/t5-/m0/s1

InChIKey

IXHZGHPQQTXOKV-YFKPBYRVSA-N

Chemical Structure

2D Structure

CAS: 87324-01-4

CID: 12483582

Formula: C6H10O3

MW: 130.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.14
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	130.062994177
Monoisotopic Mass	130.062994177
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-B011510-01	Baloxavir Impurity 10 (Baloxavir Enantiomer)
RM-B011658-01	Baloxavir Impurity 143
RM-B011657-01	Baloxavir Impurity 142
RM-B011651-01	Baloxavir Impurity 136
RM-B011650-01	Baloxavir Impurity 135
RM-B011523-01	Baloxavir Impurity 23
RM-B011579-01	Baloxavir Impurity 69
RM-B011593-01	Baloxavir Impurity 83
RM-B011590-01	Baloxavir Impurity 80
RM-B011586-01	Baloxavir Impurity 76

Catalog	Name
AR-B06004-01	Baloxavir Impurity 2
AR-B05999-01	Baloxavir Impurity 1
MBS132800	Baloxavir Impurity 4
AR-B05962-01	Baloxavir Marboxil Impurity 39
AR-B05947-01	Baloxavir Marboxil Impurity 20
AR-B05970-01	Baloxavir Marboxil Impurity 47
AR-B05959-01	Baloxavir Marboxil Impurity 36
AR-B05949-01	Baloxavir Marboxil Impurity 22
AR-B06000-01	Baloxavir Marboxil Impurity 18
AR-B05987-01	Baloxavir Marboxil Impurity 64