9-[5-(Methylsulfanylmethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]purin-6-amine
Basic information
- CAS
53496-32-5- Standard SMILES
CSCC1OC(n2cnc3c(N)ncnc32)C(OCc2ccccc2)C1OCc1ccccc1- InChIKey
HTQYURBNTVPQEX-UHFFFAOYSA-N- Molecular formula
- C25H27N5O3S
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.18346091
Names & identifiers
- Preferred name
- 9-[5-(Methylsulfanylmethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]purin-6-amine
- IUPAC
- 9-[5-(methylsulfanylmethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]purin-6-amine
Names & synonyms
53496-32-5NSC2088399-[5-(methylsulfanylmethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]purin-6-amineDTXSID30308748NSC-2088399-(2,3-Di-O-benzyl-5-S-methyl-5-thiopentofuranosyl)-9H-purin-6-amine
Database identifiers
- CAS
53496-32-5- PubChem CID
- 308169
- DTXSID
DTXSID30308748
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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