Basic information
- CAS
55726-44-8- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1- InChIKey
ATYCGJJMRABBKG-ATPOPXNDSA-N- Molecular formula
- C27H47N3O6
- Average molar mass
- 509.7 g/mol
- Monoisotopic mass
- 509.34648623
Names & identifiers
- Preferred name
- Cytosine, 1-beta-D-arabinofuranosyl-N(sup 4)-stearoyl-
- IUPAC
- N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]octadecanamide
Names & synonyms
55726-44-8BRN 07713191-beta-D-Arabinofuranosyl-N(sup 4)-stearoylcytosineN(sup 4)-Stearoyl-1-beta-D-arabinofuranosylcytosineCYTOSINE, 1-beta-D-ARABINOFURANOSYL-N(sup 4)-STEAROYL-NSC 201290RefChem:336412Stearoyl Ara-CSCHEMBL5189510ATYCGJJMRABBKG-ATPOPXNDSA-NN4 -stearoyl-1-beta-D-arabinofuranosylcytosine
Database identifiers
- CAS
55726-44-8- PubChem CID
- 41565
- Nikkaji
- J32.362D
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…