(E)-2'-Deoxy-2'-(fluoromethylene)cytidine 5'-ethylenediphosphonate

HCID 86591514
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Basic information

Standard SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)CCP(=O)(O)O)[C@@H](O)/C2=C\F)c(=O)n1
InChIKey
BJHPFQKOCZMQOY-DITSFOCZSA-N
Molecular formula
C12H18FN3O9P2
Average molar mass
429.23 g/mol

Names & identifiers

Preferred name
(E)-2'-Deoxy-2'-(fluoromethylene)cytidine 5'-ethylenediphosphonate
IUPAC
2-[[(2R,3S,4E,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethylidene)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]ethylphosphonic acid

Names & synonyms

BJHPFQKOCZMQOY-DITSFOCZSA-N(E)-2'-Deoxy-2'-(fluoromethylene)cytidine 5'-ethylenediphosphonate

Database identifiers

PubChem CID
86591514

Properties

Computed structural properties

XLogP
-5.2
Topological polar surface area
192 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
27

Related reactions

3 records
New reaction record

Linked notes

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