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Sofosbuvir 5'-Desphosphate 3'-O-[(S)-Phosphate]

CAT: 0572-TRC-S675610-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S675610-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1337482-15-1
Synonyms
Sofosbuvir 5'-Desphosphate 3'-O-[(S)-Phosphate]; N-[[P(S),2'R]-2'-Deoxy-2'-fluoro-2'-methyl-P-phenyl-3'-uridylyl]-L-alanine 1-methylethyl ester (ACI); L-Alanine, N-[[P(S),2'R]-2'-deoxy-2'-fluoro-2'-methyl-P-phenyl-3'-uridylyl]-, 1-methylethyl ester (ACI)
Hazard Statement
No Data Available
Smiles
CC(C)OC(=O)[C@H](C)N[P@](=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=CC(=O)NC2=O)[C@]1(C)F)Oc3ccccc3
Molecular Formula
C22 H29 F N3 O9 P
Molecular Weight
529.452
InChI
InChI=1S/C22H29FN3O9P/c1-13(2)32-19(29)14(3)25-36(31,34-15-8-6-5-7-9-15)35-18-16(12-27)33-20(22(18,4)23)26-11-10-17(28)24-21(26)30/h5-11,13-14,16,18,20,27H,12H2,1-4H3,(H,25,31)(H,24,28,30)/t14-,16+,18+,20+,22+,36+/m0/s1
Additionnal Information
IUPAC name: propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-phenoxyphosphoryl]amino]propanoate
Shipping Conditions
Room Temperature

Chemical Information

Sofosbuvir impurity G
CAS Number1337482-15-1
PubChem CID58463528
IUPAC Namepropan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-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)NP(=O)(O[C@@H]1[C@H](O[C@H]([C@]1(C)F)N2C=CC(=O)NC2=O)CO)OC3=CC=CC=C3
InChI
InChI=1S/C22H29FN3O9P/c1-13(2)32-19(29)14(3)25-36(31,34-15-8-6-5-7-9-15)35-18-16(12-27)33-20(22(18,4)23)26-11-10-17(28)24-21(26)30/h5-11,13-14,16,18,20,27H,12H2,1-4H3,(H,25,31)(H,24,28,30)/t14-,16+,18+,20+,22+,36?/m0/s1
InChIKey
IBMLPFZASPUMOW-IAAJYNJHSA-N
Chemical Structure
2D Structure
2D structure of Sofosbuvir impurity G
CAS: 1337482-15-1
CID: 58463528
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 Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
466356-01Sofosbuvir 5'-Desphosphate 3'-O-[S-Phosphate]
4373715’O-Benzyl Sofosbuvir Desphosphate
4277463’-O-Benzyl Sofosbuvir Desphosphate
466355Sofosbuvir 3',5'-Bis-S-phosphate
AR-S02218-01Sofosbuvir 3',5'-Bis-O-Phosphoramidate
469486-01α-Sofosbuvir Desphosphate
444357Chloro Sofosbuvir Desphosphate
448270-01Ent-Sofosbuvir Desphosphate
4211372’-epi-Sofosbuvir Desphosphate
MBS5799204Remdesivir O-desphosphate acetonide impurity

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