Basic information
- Standard SMILES
COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(COS(C)(=O)=O)nc32)C(O)C1O- InChIKey
RXWWNFDQIJDFIS-UHFFFAOYSA-N- Molecular formula
- C27H31N5O7S
- Average molar mass
- 569.6 g/mol
- Monoisotopic mass
- 569.19441952
Names & identifiers
- Preferred name
- [9-[3,4-Dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl methanesulfonate
- IUPAC
- [9-[3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl methanesulfonate
Database identifiers
- PubChem CID
- 18348410
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 880
Related reactions
7 records
Linked notes
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