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Antiviral agent 44

CAT: 0931-T85708-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T85708-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
872201-68-8
Target
HCV Protease, Antibiotic
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Bioactivity
Antiviral Agent 44 (compound 7b) exhibits anti-HCV activity in vitro [1].
Smiles
C[C@]1(O)[C@@H](O[C@H](CO)[C@H]1O)C=2C=3C(OC2)=C(N)N=CN3
Molecular Formula
C12H15N3O5
Molecular Weight
281.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S,3R,4R,5R)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CAS Number872201-68-8
PubChem CID11623314
IUPAC Name(2S,3R,4R,5R)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Molecular FormulaC12H15N3O5
Molecular Weight281.26
XLogP-1.3
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity373
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1C2=COC3=C2N=CN=C3N)CO)O)O
InChI
InChI=1S/C12H15N3O5/c1-12(18)9(17)6(2-16)20-10(12)5-3-19-8-7(5)14-4-15-11(8)13/h3-4,6,9-10,16-18H,2H2,1H3,(H2,13,14,15)/t6-,9-,10+,12-/m1/s1
InChIKey
XTZBWEWBGPBBQG-NUBDZMHLSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R,4R,5R)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CAS: 872201-68-8
CID: 11623314
Formula: C12H15N3O5
MW: 281.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.26
XLogP3-1.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass281.10117059
Monoisotopic Mass281.10117059
Topological Polar Surface Area135 Ų
Heavy Atom Count20
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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