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VV261

CAT: 0931-T207125-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T207125-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3003864-86-3
Target
Influenza Virus
Related Pathways
Microbiology/Virology
Bioactivity
VV261 is an orally active inhibitor of the Influenza Virus. It exhibits activity against the Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) and the Lymphocytic Choriomeningitis Virus (LCMV), with EC50 values of 0.89 and 0.15, respectively.
Smiles
O(C(C(C)C)=O)[C@H]1[C@@H](O[C@@](COC(C(C)C)=O)(F)[C@H]1OC(C(C)C)=O)N2C(=O)N(COC(=O)C=3C=CC=NC3)C(=O)C=C2
Molecular Formula
C28H34FN3O11
Molecular Weight
607.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[3-[(2R,3R,4S,5S)-5-fluoro-3,4-bis(2-methylpropanoyloxy)-5-(2-methylpropanoyloxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl pyridine-3-carboxylate
CAS Number3003864-86-3
PubChem CID175670819
IUPAC Name[3-[(2R,3R,4S,5S)-5-fluoro-3,4-bis(2-methylpropanoyloxy)-5-(2-methylpropanoyloxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl pyridine-3-carboxylate
Molecular FormulaC28H34FN3O11
Molecular Weight607.6
XLogP3
Topological Polar Surface Area168
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count15
Heavy Atom Count43
Formal Charge0
Complexity1130
SMILES
CC(C)C(=O)OC[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)COC(=O)C3=CN=CC=C3)OC(=O)C(C)C)OC(=O)C(C)C)F
InChI
InChI=1S/C28H34FN3O11/c1-15(2)23(34)39-13-28(29)21(42-25(36)17(5)6)20(41-24(35)16(3)4)22(43-28)31-11-9-19(33)32(27(31)38)14-40-26(37)18-8-7-10-30-12-18/h7-12,15-17,20-22H,13-14H2,1-6H3/t20-,21+,22-,28-/m1/s1
InChIKey
NQRKQWPVFDFSBT-BUUPBASBSA-N
Chemical Structure
2D Structure
2D structure of [3-[(2R,3R,4S,5S)-5-fluoro-3,4-bis(2-methylpropanoyloxy)-5-(2-methylpropanoyloxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl pyridine-3-carboxylate
CAS: 3003864-86-3
CID: 175670819
Formula: C28H34FN3O11
MW: 607.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight607.6
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count15
Exact Mass607.21773707
Monoisotopic Mass607.21773707
Topological Polar Surface Area168 Ų
Heavy Atom Count43
Formal Charge0
Complexity1130
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

Alternative Products

CatalogName
HY-172918VV261

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