2-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2C1OC(CO)C(O)C1O- InChIKey
SJDUNWMKHAWRKZ-UHFFFAOYSA-N- Molecular formula
- C17H18N6O6S
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.10085349
Names & identifiers
- Preferred name
- 2-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC652623CHEMBL1987790NSC-652623NCI60_018435
Database identifiers
- PubChem CID
- 374644
- ChEMBL
CHEMBL1987790
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 608
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…