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Lamivudine Acid

CAT: 0572-TRC-L172490-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L172490-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
173829-09-9
Synonyms
1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, (2R-cis)- (9CI); GR109825X; GR137198X; GW403126X; GR174268X (Ph Eur Impurity A); Ph Eur Lamivudine for system suitability 1; BP Lamivudine Impurity Standard;
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
NC1=NC(=O)N(C=C1)[C@@H]2CS[C@@H](O2)C(=O)O
Molecular Formula
C8 H9 N3 O4 S
Molecular Weight
243.24
InChI
InChI=1S/C8H9N3O4S/c9-4-1-2-11(8(14)10-4)5-3-16-7(15-5)6(12)13/h1-2,5,7H,3H2,(H,12,13)(H2,9,10,14)/t5-,7+/m0/s1
Additionnal Information
IUPAC name: (2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylic acid, cis-
CAS Number173829-09-9
PubChem CID15462288
IUPAC Name(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylic acid
Molecular FormulaC8H9N3O4S
Molecular Weight243.24
XLogP-1
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity395
SMILES
C1[C@H](O[C@H](S1)C(=O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H9N3O4S/c9-4-1-2-11(8(14)10-4)5-3-16-7(15-5)6(12)13/h1-2,5,7H,3H2,(H,12,13)(H2,9,10,14)/t5-,7+/m0/s1
InChIKey
PIIRVEZNDVLYQA-CAHLUQPWSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylic acid, cis-
CAS: 173829-09-9
CID: 15462288
Formula: C8H9N3O4S
MW: 243.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.24
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass243.03137695
Monoisotopic Mass243.03137695
Topological Polar Surface Area131 Ų
Heavy Atom Count16
Formal Charge0
Complexity395
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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Alternative Products

CatalogName
sc-488693Lamivudine Acid
sc-488697Rac Lamivudine Acid
296231-01Rac-Lamivudine acid
sc-490794Lamivudine Acid-13C,15N2
AR-L06191-01Lamivudine Acid Sodium Salt
AR-L01074-01Lamivudine Acid (Mixture of Diastereomers)
sc-488754Rac Lamivudine Acid-13C,15N2
0122915-Fluoro ent-Lamivudine Acid D-Menthol Ester
sc-488692Ent-Lamivudine Acid (1S,2R,5S) -5-Methyl-2-isopropylcyclohexyl Ester
MBS6085866-01ent-Lamivudine Acid (1S,2R,5S)-5-Methyl-2-isopropylcyclohexyl Ester

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