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Sofosbuvir impurity A

CAT: 0931-T12956-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T12956-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1496552-16-9
Target
HCV Protease
Related Pathways
Proteases/Proteasome, Microbiology/Virology
Bioactivity
Sofosbuvir impurity A is an diastereoisomer of Sofosbuvir. Sofosbuvir is anHCV RNA replication inhibitor , with potent anti-hepatitis C virus activity.
Smiles
C[C@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3
Molecular Formula
C22H29FN3O9P
Molecular Weight
529.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sofosbuvir impurity A
CAS Number1496552-16-9
PubChem CID73425559
IUPAC Namepropan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular FormulaC22H29FN3O9P
Molecular Weight529.5
XLogP1
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity913
SMILES
C[C@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3
InChI
InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1
InChIKey
TTZHDVOVKQGIBA-KHFYHRBSSA-N
Chemical Structure
2D Structure
2D structure of Sofosbuvir impurity A
CAS: 1496552-16-9
CID: 73425559
Formula: C22H29FN3O9P
MW: 529.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.5
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass529.16254467
Monoisotopic Mass529.16254467
Topological Polar Surface Area153 Ų
Heavy Atom Count36
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-S060256-01Sofosbuvir Impurity 32; Sofosbuvir Impurity B
RM-S060226-01Sofosbuvir Impurity 2; Sofosbuvir Impurity V
MBS3846068-01Sofosbuvir impurity A
AR-S09358-01Sofosbuvir Impurity
AR-S01685-01Sofosbuvir Impurity 37 (Sofosbuvir Isomer)
HY-59121B-01Sofosbuvir impurity 1
HY-I0723-01Sofosbuvir impurity D
HY-I0938-01Sofosbuvir impurity H
HY-I0515-01Sofosbuvir impurity K
MBS3615083-01Sofosbuvir impurity F

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