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Lamivudine EP Impurity J

CAT: 1596-AR-L01081-01Size: 250 UnitsDry Ice: NoHazardous: No
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CAS Number
145986-07-8
Synonyms
1- ((2R,5S) -2- (hydroxymethyl) -1,3-oxathiolan-5-yl) pyrimidine-2,4 (1H,3H) -dione; (2R-cis) -1-[2- (Hydroxymethyl) -1,3-oxathiolan-5-yl]-2,4 (1H,3H) -pyrimidinedione; Lamivudine Impurity J; Lamivudine Uridine Analog; Lamivudine EP Impurity J
Molecular Formula
C8H10N2O4S
Molecular Weight
230.24
API Name
Lamivudine

Chemical Information

1-(2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidine-2,4(1H,3H)-dione, (2R,5S)-
CAS Number145986-07-8
PubChem CID454506
IUPAC Name1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Molecular FormulaC8H10N2O4S
Molecular Weight230.24
XLogP-0.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity320
SMILES
C1[C@H](O[C@H](S1)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C8H10N2O4S/c11-3-7-14-6(4-15-7)10-2-1-5(12)9-8(10)13/h1-2,6-7,11H,3-4H2,(H,9,12,13)/t6-,7+/m0/s1
InChIKey
BNVOMPQTQUUYHU-NKWVEPMBSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidine-2,4(1H,3H)-dione, (2R,5S)-
CAS: 145986-07-8
CID: 454506
Formula: C8H10N2O4S
MW: 230.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.24
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass230.03612798
Monoisotopic Mass230.03612798
Topological Polar Surface Area104 Ų
Heavy Atom Count15
Formal Charge0
Complexity320
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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