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ATV006

CAT: 0931-T60014-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T60014-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2647441-36-7
Target
Antiviral, SARS-CoV
Related Pathways
Microbiology/Virology, Immunology/Inflammation
Purity
0.9958
Bioactivity
ATV006 has antiviral activity and can be used in research on the treatment of viral infections.
Smiles
CC(C)C(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Molecular Formula
C16H19N5O5
Molecular Weight
361.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Obeldesivir
CAS Number2647441-36-7
PubChem CID162513664
IUPAC Name[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl 2-methylpropanoate
Molecular FormulaC16H19N5O5
Molecular Weight361.35
XLogP-0.3
Topological Polar Surface Area156
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity595
SMILES
CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O
InChI
InChI=1S/C16H19N5O5/c1-8(2)15(24)25-5-10-12(22)13(23)16(6-17,26-10)11-4-3-9-14(18)19-7-20-21(9)11/h3-4,7-8,10,12-13,22-23H,5H2,1-2H3,(H2,18,19,20)/t10-,12-,13-,16+/m1/s1
InChIKey
YIHPGVCWGSURHO-VSBTWAGUSA-N
Chemical Structure
2D Structure
2D structure of Obeldesivir
CAS: 2647441-36-7
CID: 162513664
Formula: C16H19N5O5
MW: 361.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.35
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass361.13861872
Monoisotopic Mass361.13861872
Topological Polar Surface Area156 Ų
Heavy Atom Count26
Formal Charge0
Complexity595
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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