2-[6-[[9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
13265-04-8- Standard SMILES
OCC1OC(n2cnc3c(SSc4ncnc5c4ncn5C4OC(CO)C(O)C4O)ncnc32)C(O)C1O- InChIKey
CFGATGUQIVQVCT-UHFFFAOYSA-N- Molecular formula
- C20H22N8O8S2
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.10020204
Names & identifiers
- Preferred name
- 2-[6-[[9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[6-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC113617NSC520950NSC-113617NSC-52095013265-04-8
Database identifiers
- CAS
13265-04-8、23521-02-0- PubChem CID
- 270799
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 278 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 767
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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