2-(Hydroxymethyl)-5-[6-(4-methylpiperazin-1-yl)purin-9-yl]oxolane-3,4-diol
Basic information
- CAS
59856-78-9- Standard SMILES
CN1CCN(c2ncnc3c2ncn3C2OC(CO)C(O)C2O)CC1- InChIKey
XSYVIGUUPQSAET-UHFFFAOYSA-N- Molecular formula
- C15H22N6O4
- Average molar mass
- 350.37 g/mol
- Monoisotopic mass
- 350.1702532
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-[6-(4-methylpiperazin-1-yl)purin-9-yl]oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-[6-(4-methylpiperazin-1-yl)purin-9-yl]oxolane-3,4-diol
Names & synonyms
NSC28131459856-78-9DTXSID20314217NSC-2813146-(4-Methylpiperazin-1-yl)-9-pentofuranosyl-9H-purine
Database identifiers
- CAS
59856-78-9- PubChem CID
- 322907
- DTXSID
DTXSID20314217
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…