[2-(6-Aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
Basic information
- CAS
13276-55-6- Standard SMILES
CS(=O)(=O)OC1C(SCc2ccccc2)C(CO)OC1n1cnc2c(N)ncnc21- InChIKey
AJIUCWXHXBBXOZ-UHFFFAOYSA-N- Molecular formula
- C18H21N5O5S2
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.09841113
Names & identifiers
- Preferred name
- [2-(6-Aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
- IUPAC
- [2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
Names & synonyms
13276-55-6NSC101158DTXSID40927803NSC-1011589-[3-S-Benzyl-2-O-(methanesulfonyl)-3-thiopentofuranosyl]-9H-purin-6-amine
Database identifiers
- CAS
13276-55-6- PubChem CID
- 265291
- DTXSID
DTXSID40927803
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 674
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…