Basic information
- CAS
59252-37-8- Standard SMILES
CCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1- InChIKey
PUELOMOZSSTZTD-ZBCONREDSA-N- Molecular formula
- C26H45N3O6
- Average molar mass
- 495.7 g/mol
- Monoisotopic mass
- 495.33083616
Names & identifiers
- Preferred name
- Cytosine, 1-beta-D-arabinofuranosyl-N(sup 4)-margaroyl-
- IUPAC
- N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]heptadecanamide
- English name
- 1-β-D-Arabinofuranosyl-4-heptadecanoylaminopyrimidin-2(1H)-one
- Molecular formula
- C26H45N3O6
- Molecular weight
- 495.65
Names & synonyms
BRN 0728949CYTOSINE, 1-beta-D-ARABINOFURANOSYL-N(sup 4)-MARGAROYL-59252-37-81-beta-D-Arabinofuranosyl-N(sup 4)-margaroylcytosineN(sup 4)-Margaroyl-1-beta-D-arabinofuranosylcytosineDTXSID50207981RefChem:336408DTXCID00130472PUELOMOZSSTZTD-ZBCONREDSA-NN4 -margaroyl-1-beta-D-arabinofuranosylcytosine1-beta-D-Arabinofuranosyl-4-heptadecanamidopyrimidin-2(1H)-one1-β-D-Arabinofuranosyl-4-heptadecanoylaminopyrimidin-2(1H)-one
Show more names
Heptadecanamide, N-(1-β-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-
Database identifiers
- CAS
59252-37-8- PubChem CID
- 42985
- DTXSID
DTXSID50207981- Nikkaji
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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