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Ibacitabine

CAT: 0013-GTR19156708-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156708-02Size:500 mg
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Description
Ibacitabine is a drug with the activity of antiviral.It is a compound used in the construction of DNA oligomers.
CAS Number
611-53-0
Product Name Alternative
AI3-62629, Ibacitabin, Ibacitabine
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO:Soluble
Smiles
Nc1nc (=O) n (cc1I) [C@H]1C[C@H] (O) [C@@H] (CO) O1
Molecular Formula
C9H12IN3O4
Molecular Weight
353.12
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ibacitabine

Ibacitabine is a pyrimidine 2'-deoxyribonucleoside.

CAS Number611-53-0
PubChem CID65050
IUPAC Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Molecular FormulaC9H12IN3O4
Molecular Weight353.11
XLogP-0.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity398
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)CO)O
InChI
InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChIKey
WEVJJMPVVFNAHZ-RRKCRQDMSA-N
Chemical Structure
2D Structure
2D structure of Ibacitabine
CAS: 611-53-0
CID: 65050
Formula: C9H12IN3O4
MW: 353.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.11
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass352.98725
Monoisotopic Mass352.98725
Topological Polar Surface Area108 Ų
Heavy Atom Count17
Formal Charge0
Complexity398
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

Alternative Products

CatalogName
HY-W011138-01Ibacitabine

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