Sofosbuvir 13Cd3

CAT: 1299-RM-S060342-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S060342-01Size:10 mg

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CAS Number

1256490-42-2

Synonyms

1- ((2R,3R,4R,5R) -3-fluoro-4-hydroxy-5- (hydroxymethyl) -3- (methyl-13C-d3) tetrahydrofuran-2-yl) pyrimidine-2,4 (1H,3H) -dione

Molecular Formula

C913CH10D3FN2O5

Molecular Weight

264.23

Target Alternative Name

Sofosbuvir

Product Name Synonym

1- ((2R,3R,4R,5R) -3-fluoro-4-hydroxy-5- (hydroxymethyl) -3- (methyl-13C-d3) tetrahydrofuran-2-yl) pyrimidine-2,4 (1H,3H) -dione

Chemical Information

psi-6206 13CD3

CAS Number	1256490-42-2
PubChem CID	58463518
IUPAC Name	1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-(trideuterio(113C)methyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular Formula	C10H13FN2O5
Molecular Weight	264.23
XLogP	-1.1
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	415

SMILES

[2H][13C]([2H])([2H])[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O)F

InChI

InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1/i1+1D3

InChIKey

ARKKGZQTGXJVKW-CWDGLZGLSA-N

Chemical Structure

2D Structure

CAS: 1256490-42-2

CID: 58463518

Formula: C10H13FN2O5

MW: 264.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.23
XLogP3	-1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	264.10303475
Monoisotopic Mass	264.10303475
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	415
Isotope Atom Count	4
Defined Atom Stereocenter Count	4
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-S060200-01	Sofosbuvir
RM-S060201-01	Sofosbuvir Impurity A
RM-S060256-01	Sofosbuvir Impurity 32; Sofosbuvir Impurity B
RM-S060226-01	Sofosbuvir Impurity 2; Sofosbuvir Impurity V
RM-T151608-01	Tiopronin 13Cd3
RM-A120727-01	Alogliptin 13Cd3
RM-S060353-01	Sofosbuvir-D6
RM-A042506-01	Doxorubicinol-13CD3
RM-K201688-01	Ketoprofen-13CD3
RM-S060239-01	Sofosbuvir Impurity 15

Catalog	Name
T12954-01	Sofosbuvir 13CD3
TRC-D228777-25MG	2’-Defluro-2’-hydroxy 2’-epi-Sofosbuvir-13Cd3
CS-O-46919	Tiopronin 13CD3 (Methyl-13CD3)
T6676-01	Sofosbuvir