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AV-5080

CAT: 0013-GTR19240377Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240377Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AV-5080 is an orally bioavailable neuraminidase inhibitor used in influenza research. It is employed in both in vitro and in vivo studies to investigate the replication and transmission of influenza A and B viruses.
CAS Number
1448435-38-8
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
O (C (CC) CC) [C@H]1[C@H] (NC (CF) =O) [C@@H] (NC (=N) N) CC (C (O) =O) =C1
Molecular Formula
C15H25FN4O4
Molecular Weight
344.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MK7HP94Zup
CAS Number1448435-38-8
PubChem CID72165118
IUPAC Name(3R,4R,5S)-5-(diaminomethylideneamino)-4-[(2-fluoroacetyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylic acid
Molecular FormulaC15H25FN4O4
Molecular Weight344.38
XLogP0.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity516
SMILES
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)CF)N=C(N)N)C(=O)O
InChI
InChI=1S/C15H25FN4O4/c1-3-9(4-2)24-11-6-8(14(22)23)5-10(19-15(17)18)13(11)20-12(21)7-16/h6,9-11,13H,3-5,7H2,1-2H3,(H,20,21)(H,22,23)(H4,17,18,19)/t10-,11+,13+/m0/s1
InChIKey
GPJMJWZFIQXUME-DMDPSCGWSA-N
Chemical Structure
2D Structure
2D structure of MK7HP94Zup
CAS: 1448435-38-8
CID: 72165118
Formula: C15H25FN4O4
MW: 344.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.38
XLogP30.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass344.18598345
Monoisotopic Mass344.18598345
Topological Polar Surface Area140 Ų
Heavy Atom Count24
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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