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Sofosbuvir Acid

CAT: 1596-AR-S10605-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10605-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1859162-79-0
Synonyms
((S) - (((2R,3R,4R,5R) -5- (2,4-Dioxo-3,4-dihydropyrimidin-1 (2H) -yl) -4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl) methoxy) (phenoxy) phosphoryl) -L-alanine
Molecular Formula
C19H23FN3O9P
Molecular Weight
487.38
API Name
Sofosbuvir

Chemical Information

(S)-2-(((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-Methyltetrahydrofuran-2-yl)Methoxy)(phenoxy)phosphoryl)aMino)propanoic acid
CAS Number1859162-79-0
PubChem CID118672187
IUPAC Name(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoic acid
Molecular FormulaC19H23FN3O9P
Molecular Weight487.4
XLogP-0.1
Topological Polar Surface Area164
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity852
SMILES
C[C@@H](C(=O)O)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/C19H23FN3O9P/c1-11(16(26)27)22-33(29,32-12-6-4-3-5-7-12)30-10-13-15(25)19(2,20)17(31-13)23-9-8-14(24)21-18(23)28/h3-9,11,13,15,17,25H,10H2,1-2H3,(H,22,29)(H,26,27)(H,21,24,28)/t11-,13+,15+,17+,19+,33-/m0/s1
InChIKey
SOTQHJIBBYQOGX-WYTVVQBZSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-Methyltetrahydrofuran-2-yl)Methoxy)(phenoxy)phosphoryl)aMino)propanoic acid
CAS: 1859162-79-0
CID: 118672187
Formula: C19H23FN3O9P
MW: 487.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.4
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass487.11559448
Monoisotopic Mass487.11559448
Topological Polar Surface Area164 Ų
Heavy Atom Count33
Formal Charge0
Complexity852
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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