Basic information
- CAS
206184-67-0- Standard SMILES
COc1nc2nc([C@H](O)[C@H](O)CO)cnc2c(=O)n1C- InChIKey
ZMKXNUAQSJMCTP-SVRRBLITSA-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,2R)-1,2,3-trihydroxypropyl)-
- IUPAC
- 2-methoxy-3-methyl-7-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4-one
Names & synonyms
206184-67-04(3H)-Pteridinone, 2-methoxy-3-methyl-7-((1S,2R)-1,2,3-trihydroxypropyl)-2-Methoxy-3-methyl-7-(L-erythro)-alpha,beta,gamma-trihydroxypropyl-pteridin-4(3H)-one4(3H)-Pteridinone, 2-methoxy-3-methyl-7-[(1S,2R)-1,2,3-trihydroxypropyl]-DTXSID301746272-methoxy-3-methyl-7-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4-one2-Methoxy-3-methyl-7-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one2-Methoxy-3-methyl-7-[L-erythro]-.alpha.,beta.,.gamma.-trihydroxypropyl-pteridin-4(3H)-one
Database identifiers
- CAS
206184-67-0- PubChem CID
- 484376
- DTXSID
DTXSID30174627- Nikkaji
- J1.456.957J
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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