(1R,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
Basic information
- CAS
13535-20-1- Standard SMILES
C[C@H](O)[C@H](O)c1cnc2nc(N)nc(N)c2n1- InChIKey
ADPRPNXHOYFHIT-DZSWIPIPSA-N- Molecular formula
- C9H12N6O2
- Average molar mass
- 236.23 g/mol
- Monoisotopic mass
- 236.10217365
Names & identifiers
- Preferred name
- (1R,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
- IUPAC
- (1R,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
Names & synonyms
AC1L9HIO(1R,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol13535-20-1SCHEMBL23028961DTXSID003321764AB
Database identifiers
- CAS
13535-20-1- PubChem CID
- 445158
- DTXSID
DTXSID00332176- Nikkaji
- J1.732.875A
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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