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Lamivudine (R)-Sulfoxide

CAT: 0572-TRC-L172475-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L172475-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160552-54-5
Synonyms
Lamivudine (R)-Sulfoxide; GI138870X
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
NC1=NC(=O)N(C=C1)[C@@H]2C[S@@](=O)[C@H](CO)O2
Molecular Formula
C8 H11 N3 O4 S
Molecular Weight
245.26
InChI
InChI=1S/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16+/m0/s1
Additionnal Information
IUPAC name: 4-amino-1-[(2R,3R,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

lamivudine sulfoxide, (R)-
CAS Number160552-54-5
PubChem CID71587554
IUPAC Name4-amino-1-[(2R,3R,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
Molecular FormulaC8H11N3O4S
Molecular Weight245.26
XLogP-2.3
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity395
SMILES
C1[C@H](O[C@H]([S@@]1=O)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16+/m0/s1
InChIKey
LJMQAXFNQNADRZ-AJHSIVBLSA-N
Chemical Structure
2D Structure
2D structure of lamivudine sulfoxide, (R)-
CAS: 160552-54-5
CID: 71587554
Formula: C8H11N3O4S
MW: 245.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.26
XLogP3-2.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass245.04702701
Monoisotopic Mass245.04702701
Topological Polar Surface Area124 Ų
Heavy Atom Count16
Formal Charge0
Complexity395
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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