Ent-Lamivudine

CAT: 0024-sc-488694Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-488694Size:1 mg

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CAS Number

134680-32-3

Chemical Information

2',3'-Dideoxy-3'-thiacytidine

CAS Number	134680-32-3
PubChem CID	73339
IUPAC Name	4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Molecular Formula	C8H11N3O3S
Molecular Weight	229.26
XLogP	-0.9
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	331

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+/m1/s1

InChIKey

JTEGQNOMFQHVDC-RQJHMYQMSA-N

Chemical Structure

2D Structure

CAS: 134680-32-3

CID: 73339

Formula: C8H11N3O3S

MW: 229.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.26
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	229.05211239
Monoisotopic Mass	229.05211239
Topological Polar Surface Area	113 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
NE22686-01	Ent-Lamivudine
448258-01	Ent-Lamivudine Triphosphate Triethylammonium Salt
012291	5-Fluoro ent-Lamivudine Acid D-Menthol Ester
NL06295-01	Lamivudine