Palmitoyl Ara-C
Basic information
- CAS
55726-45-9- Standard SMILES
CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1- InChIKey
XEFNBUBDJCJOGM-UHFFFAOYSA-N- Molecular formula
- C25H43N3O6
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.3151861
Names & identifiers
- Preferred name
- Palmitoyl Ara-C
- IUPAC
- N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexadecanamide
Names & synonyms
MLS002702102Palmitoyl Ara-CNSC-250684CHEMBL62507SCHEMBL20809906DTXSID30971097NSC250684NCI60_001997SMR001565670Hexadecanamide,2-dihydro-2-oxo-4-pyrimidinyl)-Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-palmitoyl-4-(Hexadecanoylimino)-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol
Database identifiers
- CAS
55726-45-9- PubChem CID
- 317641
- DTXSID
DTXSID30971097- ChEMBL
CHEMBL62507
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 684
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Related reactions
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Compound notes
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