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AT-9010 tetrasodium

CAT: 0931-T39095-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T39095-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1621884-18-1
Target
Others, SARS-CoV
Related Pathways
Microbiology/Virology, Others
Bioactivity
AT-9010 tetrasodium is a triphosphate active metabolite derived from AT-527. It acts as a potent inhibitor of NiRAN, a crucial function for viral replication. Furthermore, AT-9010 tetrasodium demonstrates its ability to effectively inhibit the replication of SARS-CoV-2.
Smiles
[Na].[Na].[Na].[Na].C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c1[nH]c(N)nc2=O
Molecular Formula
C11H13FN5Na4O13P3
Molecular Weight
627.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AT-9010 tetrasodium
CAS Number1621884-18-1
PubChem CID162642756
IUPAC Nametetrasodium;[[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular FormulaC11H13FN5Na4O13P3
Molecular Weight627.13
Topological Polar Surface Area286
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity998
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)F.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C11H17FN5O13P3.4Na/c1-11(12)6(18)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19;;;;/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19);;;;/q;4*+1/p-4/t4-,6-,9-,11-;;;;/m1..../s1
InChIKey
YSFIWHKJCYGPPP-ZJECJYFYSA-J
Chemical Structure
2D Structure
2D structure of AT-9010 tetrasodium
CAS: 1621884-18-1
CID: 162642756
Formula: C11H13FN5Na4O13P3
MW: 627.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight627.13
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass626.92975177
Monoisotopic Mass626.92975177
Topological Polar Surface Area286 Ų
Heavy Atom Count37
Formal Charge0
Complexity998
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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