Emtricitabine Impurity 12

CAT: 1299-RM-E201812-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-E201812-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

145281-92-1

Synonyms

5-fluoro-1- ((2S,5R) -2- (hydroxymethyl) -1,3-oxathiolan-5-yl) pyrimidine-2,4 (1H,3H) -dione

Molecular Formula

C8H9FN2O4S

Molecular Weight

248.23

Target Alternative Name

Emtricitabine

Product Name Synonym

5-fluoro-1- ((2S,5R) -2- (hydroxymethyl) -1,3-oxathiolan-5-yl) pyrimidine-2,4 (1H,3H) -dione

Chemical Information

2',3'-Dideoxy-5-fluoro-3'-thiauridine

CAS Number	145281-92-1
PubChem CID	455170
IUPAC Name	5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Molecular Formula	C8H9FN2O4S
Molecular Weight	248.23
XLogP	-0.6
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	362

SMILES

C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=O)NC2=O)F

InChI

InChI=1S/C8H9FN2O4S/c9-4-1-11(8(14)10-7(4)13)5-3-16-6(2-12)15-5/h1,5-6,12H,2-3H2,(H,10,13,14)/t5-,6+/m1/s1

InChIKey

KOGYOPLNKQJQFM-RITPCOANSA-N

Chemical Structure

2D Structure

CAS: 145281-92-1

CID: 455170

Formula: C8H9FN2O4S

MW: 248.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.23
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	248.02670611
Monoisotopic Mass	248.02670611
Topological Polar Surface Area	104 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	362
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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-E201801-01	Emtricitabine Impurity A
RM-E201825-01	Emtricitabine Cis-Cyclic Impurity; Emtricitabine Impurity E
RM-E201804-01	Emtricitabine Impurity D; Emtricitabine Trans-Cyclic Impurity
RM-E201848-01	Emtricitabine Impurity 48; Emtricitabine and Tenofovir Dimer Impurity
RM-E201828-01	Emtricitabine Impurity 28
RM-E201832-01	Emtricitabine Impurity 32
RM-E201823-01	Emtricitabine Impurity 23
RM-E201838-01	Emtricitabine Impurity 38
RM-E201853-01	Emtricitabine Impurity 53
RM-E201851-01	Emtricitabine Impurity 51

Catalog	Name
AR-E01283-01	Emtricitabine Impurity B
AR-E01305-01	Emtricitabine Impurity 8
AR-E01290-01	Emtricitabine Dimer Impurity
AR-E09786-01	Emtricitabine Impurity 43
AR-E09785-01	Emtricitabine Impurity 40
AR-E09783-01	Emtricitabine Impurity 37
AR-E09781-01	Emtricitabine Impurity 33
IE182323-01	Emtricitabine impurity 9
AR-E01304-01	Emtricitabine Impurity 7
AR-E01307	Emtricitabine Impurity 10