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2''-Deoxy-L-cytidine

CAT: 0862-GN9770-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0862-GN9770-10mgSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40093-94-5
MDL Number
MFCD02683609
HS Code
29349990
Purity
99.00%
Molecular Formula
C9H13N3O4
Molecular Weight
227.22
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

Torcitabine

Torcitabine is a nucleoside inhibitor with activity against hepatitis B virus. Torcitabine is modified in vivo to its triphosphate form and acts as a competitive inhibitor of viral DNA polymerase.

CAS Number40093-94-5
PubChem CID159354
IUPAC Name4-amino-1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular FormulaC9H13N3O4
Molecular Weight227.22
XLogP-1.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity355
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1
InChIKey
CKTSBUTUHBMZGZ-CHKWXVPMSA-N
Chemical Structure
2D Structure
2D structure of Torcitabine
CAS: 40093-94-5
CID: 159354
Formula: C9H13N3O4
MW: 227.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.22
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass227.09060590
Monoisotopic Mass227.09060590
Topological Polar Surface Area108 Ų
Heavy Atom Count16
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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