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1-(2,5-Dideoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodocytosine

HCID 515102
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Basic information

CAS
105309-31-7
Standard SMILES
C[C@H]1O[C@@H](n2cc(I)c(N)nc2=O)[C@@H](F)[C@@H]1O
InChIKey
GMBXABYLHJQTRF-YTKLMKCDSA-N
Molecular formula
C9H11FIN3O3
Average molar mass
355.1 g/mol
Monoisotopic mass
354.98292

Names & identifiers

Preferred name
1-(2,5-Dideoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodocytosine
IUPAC
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-iodopyrimidin-2-one

Names & synonyms

5'-deoxy-FIAC105309-31-71-(2,5-Dideoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodocytosineDTXSID201470671-(2,5-Dideoxy-2-fluoro-.beta.-D-arabinofuranosyl)-5-iodocytosine2(1H)-Pyrimidinone,4-amino-1-(2,5-dideoxy-2-fluoro-b-D-arabinofuranosyl)-5-iodo-4-Amino-1-(2,5-dideoxy-2-fluoro-beta-D-arabinofuranosyl)-5-iodopyrimidin-2(1H)-one4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidin-2-one4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-one

Database identifiers

CAS
105309-31-7
PubChem CID
515102
DTXSID
DTXSID20147067

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
88.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
414

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