Hexadecyloxypropyl-cyclic cidofovir

HCID 483474

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCOCCCOP1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1
InChIKey
SLYMJSGMJWGMJB-OAWRCXNGSA-N
Molecular formula
C27H50N3O6P
Average molar mass
543.7 g/mol
Monoisotopic mass
543.34372332

Names & identifiers

Preferred name
Hexadecyloxypropyl-cyclic cidofovir
IUPAC
4-amino-1-[[(5S)-2-(3-hexadecoxypropoxy)-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one

Names & synonyms

Hexadecyloxypropyl-cyclic cidofovirHDP-cCDVSCHEMBL138629CHEMBL1650054SLYMJSGMJWGMJB-OAWRCXNGSA-N1-O-Hexadecylpropanediol-cyclic CDV(5S)-5-[(4-Amino-2-oxohydropyrimidinyl)methyl]-2-(3-hexadecyloxypropoxy)-1,4,2-dioxaphosphan-2-one4-amino-1-[[(5S)-2-(3-hexadecoxypropoxy)-2-oxo-1,4,2$l^{5}-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one4-amino-1-[[(5S)-2-(3-hexadecoxypropoxy)-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one

Database identifiers

PubChem CID
483474
ChEMBL
CHEMBL1650054

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
22
Heavy atoms
37

Related reactions

4 records

Compound notes

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