Basic information
- Standard SMILES
CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(CNC(=O)NCCN5CCCCC5)nc43)[C@H](OC(C)=O)[C@@H]2OC(C)=O)n1- InChIKey
MXCYLDPZUFIRSB-VIJPYWPYSA-N- Molecular formula
- C39H48N12O6
- Average molar mass
- 780.9 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4R,5R)-4-(Acetoxy)-2-(6-[(2,2-diphenylethyl)amino]-2-{[({[2-(1-piperidinyl)ethyl]amino}carbonyl)amino]methyl}-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydro-3-furanyl acetate
- IUPAC
- [(2R,3R,4R,5R)-4-acetyloxy-5-[6-(2,2-diphenylethylamino)-2-[(2-piperidin-1-ylethylcarbamoylamino)methyl]purin-9-yl]-2-(2-ethyltetrazol-5-yl)oxolan-3-yl] acetate
Names & synonyms
SCHEMBL7074412MXCYLDPZUFIRSB-VIJPYWPYSA-N(2R,3R,4R,5R)-4-(Acetoxy)-2-(6-[(2,2-diphenylethyl)amino]-2-{[({[2-(1 -piperidinyl)ethyl]amino}carbonyl)amino]methyl}-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydro-3-furanyl Acetate(2R,3R,4R,5R)-4-(Acetoxy)-2-(6-[(2,2-diphenylethyl)amino]-2-{[({[2-(1-piperidinyl)ethyl]amino}carbonyl)amino]methyl}-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydro-3-furanyl acetate
Database identifiers
- PubChem CID
- 59094530
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 17
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,280
Related reactions
1 records
Compound notes
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