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Fosalvudine tidoxil

CAT: 0013-GTR19197609-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197609-01Size:25 mg
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Description
Fosalvudine tidoxil is a nucleoside reverse transcriptase inhibitor (NRTI) investigated for HIV treatment. It serves as a prodrug for alovudine and is utilized in research to study antiviral mechanisms and efficacy in both cellular and animal models of HIV infection.
CAS Number
763903-67-9
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
O=C1N ([C@@H]2O[C@H] (COP (OCC (CSCCCCCCCCCCCC) OCCCCCCCCCC) (=O) O) [C@@H] (F) C2) C=C (C) C (=O) N1
Molecular Formula
C35H64FN2O8PS
Molecular Weight
722.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fosalvudine Tidoxil
CAS Number763903-67-9
PubChem CID11563925
IUPAC Name(2-decoxy-3-dodecylsulfanylpropyl) [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Molecular FormulaC35H64FN2O8PS
Molecular Weight722.9
XLogP9.8
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count30
Heavy Atom Count48
Formal Charge0
Complexity977
SMILES
CCCCCCCCCCCCSCC(COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)F)OCCCCCCCCCC
InChI
InChI=1S/C35H64FN2O8PS/c1-4-6-8-10-12-14-15-17-19-21-23-48-28-30(43-22-20-18-16-13-11-9-7-5-2)26-44-47(41,42)45-27-32-31(36)24-33(46-32)38-25-29(3)34(39)37-35(38)40/h25,30-33H,4-24,26-28H2,1-3H3,(H,41,42)(H,37,39,40)/t30?,31-,32+,33+/m0/s1
InChIKey
JHXLLEDIXXOJQD-WELGVCPWSA-N
Chemical Structure
2D Structure
2D structure of Fosalvudine Tidoxil
CAS: 763903-67-9
CID: 11563925
Formula: C35H64FN2O8PS
MW: 722.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight722.9
XLogP39.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count30
Exact Mass722.41050334
Monoisotopic Mass722.41050334
Topological Polar Surface Area149 Ų
Heavy Atom Count48
Formal Charge0
Complexity977
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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