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2'-Epi-lamivudine

CAT: 0926-NE22731-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-NE22731-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
136846-20-3
Synonyms
Lamivudine impurity B; 4-Amino-1-[ (2S,5S) -2- (hydroxymethyl) -1,3-oxathiol an-5-yl]-2 (1H) -pyrimidinone; (2S-trans) -4-Amino-1-[2- (hydroxymethyl) -1 ,3-oxathiolan -5-yl]-2 (1H) -pyrimidinone; trans (-) -2-Hydroxymethyl-5- (cytosin-1-yl) -1 ,3-oxathiolane
MDL Number
MFCD00869739
Smiles
O=C1N ([C@]2 (O[C@H] (CO) SC2) [H]) C=CC (N) =N1
Molecular Formula
C8H11N3O3S
Molecular Weight
229.26 g/mol
Controlled
No

Chemical Information

Lamivudine, (A+-)-trans-
CAS Number136846-20-3
PubChem CID6540852
IUPAC Name4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Molecular FormulaC8H11N3O3S
Molecular Weight229.26
XLogP-0.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity331
SMILES
C1[C@H](O[C@@H](S1)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
InChIKey
JTEGQNOMFQHVDC-BQBZGAKWSA-N
Chemical Structure
2D Structure
2D structure of Lamivudine, (A+-)-trans-
CAS: 136846-20-3
CID: 6540852
Formula: C8H11N3O3S
MW: 229.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.26
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass229.05211239
Monoisotopic Mass229.05211239
Topological Polar Surface Area113 Ų
Heavy Atom Count15
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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