Lamivudine Impurity 15

CAT: 1299-RM-L130615-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L130615-01Size:10 mg

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CAS Number

147126-63-4

Synonyms

(1R,2S,5R) -2-isopropyl-5-methylcyclohexyl (2S,5S) -5-hydroxy-1,3-oxathiolane-2-carboxylate

Molecular Formula

C14H24O4S

Molecular Weight

288.4

Target Alternative Name

Lamivudine

Product Name Synonym

(1R,2S,5R) -2-isopropyl-5-methylcyclohexyl (2S,5S) -5-hydroxy-1,3-oxathiolane-2-carboxylate

Chemical Information

1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1alpha(2S*,5S*),2beta,5alpha]]-

CAS Number	147126-63-4
PubChem CID	15383324
IUPAC Name	[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,5S)-5-hydroxy-1,3-oxathiolane-2-carboxylate
Molecular Formula	C14H24O4S
Molecular Weight	288.40
XLogP	3.5
Topological Polar Surface Area	81.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	321

SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2O[C@@H](CS2)O)C(C)C

InChI

InChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)17-13(16)14-18-12(15)7-19-14/h8-12,14-15H,4-7H2,1-3H3/t9-,10+,11-,12+,14+/m1/s1

InChIKey

KXKDZLRTIFHOHW-MOWSAHLDSA-N

Chemical Structure

2D Structure

CAS: 147126-63-4

CID: 15383324

Formula: C14H24O4S

MW: 288.40

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	288.40
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	288.13953042
Monoisotopic Mass	288.13953042
Topological Polar Surface Area	81.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes