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Poly(2-fluoroadenylic acid)

HCID 3080922
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Basic information

CAS
71261-44-4
Standard SMILES
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIKey
GIUYCYHIANZCFB-UUOKFMHZSA-N
Molecular formula
C10H13FN5O7P
Average molar mass
365.21 g/mol
Monoisotopic mass
365.05366293

Names & identifiers

Preferred name
Poly(2-fluoroadenylic acid)
IUPAC
[(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
English name
poly(2-fluoroadenylic acid)
Molecular formula
C10H13FN5O7P
Molecular weight
365.21

Names & synonyms

71261-44-4DTXSID002214355'-Adenylic acid, 2-fluoro-, homopolymerDTXCID00143926RefChem:1750631492-60-02-Fluoro-5'-adenylic Acid((2R,3S,4R,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate[(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphateFludarabine Impurity 13SCHEMBL4824492-fluoroadenosine monophosphate
Show more names
poly(2-fluoroadenylic acid)
Fludarabine Phosphate Impurity 13{[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acidNCGC00182047-022-Fluoroadenosine 5'-(dihydrogen phosphate)

Database identifiers

CAS
71261-44-4
PubChem CID
3080922
DTXSID
DTXSID00221435

Properties

Computed structural properties

XLogP
-3.1
Topological polar surface area
186 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
12
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
514

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Compound notes

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