Basic information
- CAS
206184-66-9- Standard SMILES
COc1nc2nc([C@H](O)[C@@H](O)CO)cnc2c(=O)n1C- InChIKey
ZMKXNUAQSJMCTP-XPUUQOCRSA-N- Molecular formula
- C11H14N4O5
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.09641956
Names & identifiers
- Preferred name
- 4(3H)-Pteridinone, 2-methoxy-3-methyl-7-((1S,2S)-1,2,3-trihydroxypropyl)-
- IUPAC
- 2-methoxy-3-methyl-7-[(1S,2S)-1,2,3-trihydroxypropyl]pteridin-4-one
Names & synonyms
4(3H)-Pteridinone, 2-methoxy-3-methyl-7-((1S,2S)-1,2,3-trihydroxypropyl)-206184-66-92-Methoxy-3-methyl-7-(L-threo)-alpha,beta,gamma-trihydroxypropyl-pteridin-4(3H)-one2-methoxy-3-methyl-7-[(1S,2S)-1,2,3-trihydroxypropyl]pteridin-4-one4(3H)-Pteridinone, 2-methoxy-3-methyl-7-[(1S,2S)-1,2,3-trihydroxypropyl]-DTXSID701746262-Methoxy-3-methyl-7-[(1S,2S)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one2-Methoxy-3-methyl-7-[L-threo]-.alpha.,beta.,.gamma.-trihydroxypropyl-pteridin-4(3H)-oneAcetic acid (1R,2S,3R)-2,3,4-triacetoxy-1-[(4-amino-2-methoxy-1-methyl-6-oxo-1,6-dihydro-pyrimidin-5-ylimino)-methyl]-butyl ester
Database identifiers
- CAS
206184-66-9- PubChem CID
- 484375
- DTXSID
DTXSID70174626- Nikkaji
- J1.456.956A
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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