Basic information
- CAS
79974-30-4- Standard SMILES
CC(=O)OCC1OC(n2ncc3c(N4CC4)ncnc32)C(OC(C)=O)C1OC(C)=O- InChIKey
FSPQTMFJRTXRNW-UHFFFAOYSA-N- Molecular formula
- C18H21N5O7
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.14409803
Names & identifiers
- Preferred name
- [3,4-Diacetyloxy-5-[4-(aziridin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate
- IUPAC
- [3,4-diacetyloxy-5-[4-(aziridin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate
Names & synonyms
79974-30-4NSC279844[3,4-diacetyloxy-5-[4-(aziridin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetateDTXSID20314015NSC-2798444-(Aziridin-1-yl)-1-(2,3,5-tri-O-acetylpentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- CAS
79974-30-4- PubChem CID
- 322407
- DTXSID
DTXSID20314015
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…