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2',3'-Dideoxy-5-iodocytidine

CAT: 0013-GTR19189850Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189850Size:25 mg
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Description
2',3'-Dideoxy-5-iodocytidine is a chain-terminating nucleotide analog used in DNA sequencing research. It also functions as an antimycobacterial agent, demonstrating potent in vitro activity against Mycobacterium species in antimicrobial studies.
CAS Number
114748-57-1
Field of Research
Infectious Disease & Virology
Smiles
O=C1N ([C@@H]2O[C@H] (CO) CC2) C=C (I) C (N) =N1
Molecular Formula
C9H12IN3O3
Molecular Weight
337.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2',3'-Dideoxy-5-iodocytidine
CAS Number114748-57-1
PubChem CID14630104
IUPAC Name4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Molecular FormulaC9H12IN3O3
Molecular Weight337.11
XLogP-0.3
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity369
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)I
InChI
InChI=1S/C9H12IN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1
InChIKey
AMWJPSDPTPKJGN-CAHLUQPWSA-N
Chemical Structure
2D Structure
2D structure of 2',3'-Dideoxy-5-iodocytidine
CAS: 114748-57-1
CID: 14630104
Formula: C9H12IN3O3
MW: 337.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.11
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass336.99234
Monoisotopic Mass336.99234
Topological Polar Surface Area88.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity369
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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