5'-O-Benzoyl-3'-deoxy-3'-[(diethoxyphosphoryl)methyl]adenosine
Basic information
- CAS
90012-84-3- Standard SMILES
CCOP(=O)(C[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COC(=O)c1ccccc1)OCC- InChIKey
AQKBRJPDHUBYCZ-BZSOYRFXSA-N- Molecular formula
- C22H28N5O7P
- Average molar mass
- 505.5 g/mol
- Monoisotopic mass
- 505.17263525
Names & identifiers
- Preferred name
- 5'-O-Benzoyl-3'-deoxy-3'-[(diethoxyphosphoryl)methyl]adenosine
- IUPAC
- [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-(diethoxyphosphorylmethyl)-4-hydroxyoxolan-2-yl]methyl benzoate
Names & synonyms
90012-84-3((2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-((diethoxyphosphoryl)methyl)-4-hydroxytetrahydrofuran-2-yl)methyl benzoateDTXSID908493095'-O-Benzoyl-3'-deoxy-3'-[(diethoxyphosphoryl)methyl]adenosine
Database identifiers
- CAS
90012-84-3- PubChem CID
- 71430697
- DTXSID
DTXSID90849309
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 748
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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