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L-2'-Fd4C

CAT: 0931-T60285-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60285-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
221662-50-6
Target
Others, HIV Protease, Nucleoside Antimetabolite/Analog, HBV, DNA/RNA Synthesis
Related Pathways
Microbiology/Virology, Cell Cycle/Checkpoint, Proteases/Proteasome, Others, DNA Damage/DNA Repair
Bioactivity
L-2'-Fd4C is an L-nucleoside analogue with both anti-human immunodeficiency virus (HIV) and anti-hepatitis B virus (HBV) activity [1].
Smiles
FC=1[C@H](O[C@@H](CO)C1)N2C(=O)N=C(N)C=C2
Molecular Formula
C9H10FN3O3
Molecular Weight
227.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-amino-1-[(2S,5R)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
CAS Number221662-50-6
PubChem CID473085
IUPAC Name4-amino-1-[(2S,5R)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Molecular FormulaC9H10FN3O3
Molecular Weight227.19
XLogP-1.8
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity405
SMILES
C1=CN(C(=O)N=C1N)[C@@H]2C(=C[C@@H](O2)CO)F
InChI
InChI=1S/C9H10FN3O3/c10-6-3-5(4-14)16-8(6)13-2-1-7(11)12-9(13)15/h1-3,5,8,14H,4H2,(H2,11,12,15)/t5-,8+/m1/s1
InChIKey
KXCHLAARWGPSAG-XRGYYRRGSA-N
Chemical Structure
2D Structure
2D structure of 4-amino-1-[(2S,5R)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
CAS: 221662-50-6
CID: 473085
Formula: C9H10FN3O3
MW: 227.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight227.19
XLogP3-1.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass227.07061935
Monoisotopic Mass227.07061935
Topological Polar Surface Area88.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes