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Sofosbuvir-d6

CAT: 1459-CS-O-10984Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-10984Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sofosbuvir-d6 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Sofosbuvir. The product is supplied by Clearsynth under CAT No. CS-O-10984. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
It is the isotope labelled analog of Sofosbuvir. Sofosbuvir is a prodrug that is metabolized to the active antiviral agent 2-deoxy-2-?-fluoro-?-C-methyluridine-5-monophosphate and is currently being investigated in phase
CAS Number
1868135-06-1
Synonyms
Sofosbuvir-d6
Molecular Formula
C 22 H 23 D 6 FN 3 O 9 P
Molecular Weight
535.49
Additionnal Information
Sofosbuvir-d6 is supplied with detailed characterization data compliant with regulatory guideline. Sofosbuvir-d6 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Sofosbuvir.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
It is the isotope labelled analog of Sofosbuvir. Sofosbuvir is a prodrug that is metabolized to the active antiviral agent 2-deoxy-2-?-fluoro-?-C-methyluridine-5-monophosphate and is currently being investigated in phase
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Sofosbuvir D6
CAS Number1868135-06-1
PubChem CID92044384
IUPAC Name1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular FormulaC22H29FN3O9P
Molecular Weight535.5
XLogP1
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity913
SMILES
[2H]C([2H])([2H])C(C([2H])([2H])[2H])OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3
InChI
InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1/i1D3,2D3
InChIKey
TTZHDVOVKQGIBA-FMYNZQRGSA-N
Chemical Structure
2D Structure
2D structure of Sofosbuvir D6
CAS: 1868135-06-1
CID: 92044384
Formula: C22H29FN3O9P
MW: 535.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.5
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass535.20020515
Monoisotopic Mass535.20020515
Topological Polar Surface Area153 Ų
Heavy Atom Count36
Formal Charge0
Complexity913
Isotope Atom Count6
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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