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Sofosbuvir impurity 6

CAT: 0926-IS153419-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-IS153419-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
863329-63-9
Smiles
C=C1[C@@H] ([C@H] (O[C@H]1N2C=CC (=NC2=O) NC (=O) C3=CC=CC=C3) COC (=O) C4=CC=CC=C4) OC (=O) C5=CC=CC=C5
Molecular Formula
C31H27N3O7
Molecular Weight
553.56 g/mol
Controlled
No

Chemical Information

(2R,3S,5R)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-methylenetetrahydrofuran-3-yl benzoate
CAS Number863329-63-9
PubChem CID11786168
IUPAC Name[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-methylideneoxolan-2-yl]methyl benzoate
Molecular FormulaC31H25N3O7
Molecular Weight551.5
XLogP3.7
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity1070
SMILES
C=C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C31H25N3O7/c1-20-26(41-30(37)23-15-9-4-10-16-23)24(19-39-29(36)22-13-7-3-8-14-22)40-28(20)34-18-17-25(33-31(34)38)32-27(35)21-11-5-2-6-12-21/h2-18,24,26,28H,1,19H2,(H,32,33,35,38)/t24-,26+,28-/m1/s1
InChIKey
GYBGOHQHURYWRS-MAARLIENSA-N
Chemical Structure
2D Structure
2D structure of (2R,3S,5R)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-methylenetetrahydrofuran-3-yl benzoate
CAS: 863329-63-9
CID: 11786168
Formula: C31H25N3O7
MW: 551.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass551.16925015
Monoisotopic Mass551.16925015
Topological Polar Surface Area124 Ų
Heavy Atom Count41
Formal Charge0
Complexity1070
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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Alternative Products

CatalogName
RM-S060256-01Sofosbuvir Impurity 32; Sofosbuvir Impurity B
RM-S060226-01Sofosbuvir Impurity 2; Sofosbuvir Impurity V
T12956-01Sofosbuvir impurity A
AR-S09358-01Sofosbuvir Impurity
AR-S01685-01Sofosbuvir Impurity 37 (Sofosbuvir Isomer)
HY-59121B-01Sofosbuvir impurity 1
HY-I0938-01Sofosbuvir impurity H
HY-I0515-01Sofosbuvir impurity K
HY-I0723-01Sofosbuvir impurity D
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