PSI-6206 13C, d3

CAT: 0931-T12571-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T12571-01Size:1 mg

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CAS Number

1256490-42-2

Target

HCV Protease

Related Pathways

Microbiology/Virology, Proteases/Proteasome

Bioactivity

PSI-6206 13CD3 is the deuterium labeled PSI-6206. PSI-6206 is a potent and selective HCV NS5B polymerase inhibitor.

Smiles

[2H][13C]([2H])([2H])[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O

Molecular Formula

C10H13FN2O5

Molecular Weight

264.23

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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

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View on PubChem Raw 3D data

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

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Alternative Products

Catalog	Name
HY-15236S	PSI-6206-13C, d3
HY-15236S1	PSI-6206-d1,13C,15N2
VHD00925-01	Psi-7977-13C-d3
TRC-P839647-75MG	PSI 352707-13C,D3
463189-01	PSI 352707-13C, D3
A8189-100	PSI-6206
MBS3846206-01	PSI-6206 13CD3
A11530-200	PSI-6206 200mg
A11530-100	PSI-6206 100mg
A11530-10	PSI-6206 10mg

PSI-6206 13C, d3

Chemical Information

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