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
- Formal charge
- 0
- Complexity
- 733
Related reactions
4 records
Compound notes
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