Basic information
- CAS
131933-67-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])OCC.[Na+]- InChIKey
BAPXDLATVJKKRD-ZIYRSEDISA-M- Molecular formula
- C33H58N6NaO9P
- Average molar mass
- 736.8 g/mol
- Monoisotopic mass
- 736.39005873
Overview
amidoalkyl ether lipid-AZT conjugate; anti-HIV agent; RN & structure given in first source
Names & identifiers
- Preferred name
- CP 92
- IUPAC
- sodium [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate
Names & synonyms
3-Adpept3'-Azido-3'-deoxy-5'-(3-octadecanamido-2-ethoxypropyl)phosphothymidineCP 92131933-67-0CP-92RefChem:128309CHEMBL3350978sodium;[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate1-Octadecanamido-2-(ethoxypropyl)-rac-3-phospho-3'-azido-3'-deoxythymidine5'-Thymidylic acid, 3'-azido-3'-deoxy-, mono(2-ethoxy-3-((1-oxooctadecyl)amino)propyl) ester, monosodium salt
Database identifiers
- CAS
131933-67-0- PubChem CID
- 72297
- ChEMBL
CHEMBL3350978
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 28
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…