(R)-dyphylline
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Basic information
- CAS
72376-78-4- Standard SMILES
Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O- InChIKey
KSCFJBIXMNOVSH-ZCFIWIBFSA-N- Molecular formula
- C10H14N4O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.10150494
Overview
(R)-dyphylline is the (R)-enantiomer of dyphylline. It is an enantiomer of a (S)-dyphylline.
Names & identifiers
- Preferred name
- (R)-dyphylline
- IUPAC
- 7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethylpurine-2,6-dione
- English name
- diprophylline
- Molecular formula
- C10H14N4O4
- Molecular weight
- 254.24
Names & synonyms
(R)-dyphyllineCHEBI:598467-[(2R)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione7-((2R)-2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dioneRefChem:934919(R)-diprophylline72376-78-4Diprophylline, (R)-16566ZJY6AUNII-16566ZJY6A7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethylpurine-2,6-dione[(2R)-1,2-dihydroxy-3-propyl]thiophyllin
Show more names
Diprophylline Impurity 6
7-[(2R)-2,3-dihydroxypropyl]theophylline1H-Purine-2,6-dione, 7-((2R)-2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-, (R)-A1BD21,3-dimethyl-7-[(2R)-2,3-dihydroxypropyl]xanthine7-[(2R)-2,3-dihydroxypropyl]-1,3-dimethylxanthine(R)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione7-[(2R)-2,3-dihydroxypropyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Database identifiers
- CAS
72376-78-4- PubChem CID
- 688353
- DTXSID
DTXSID601333230- ChEMBL
CHEMBL1488819- ChEBI
CHEBI:59846- UNII
- 16566ZJY6A
Properties
Computed structural propertiesFilling in
- XLogP
- -1.8
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 589.583 · 589.583±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.578 · 1.578±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.74 · 13.740±0.20(predicted)
- FDA UNII
- 16566 ZJY6A · 16566ZJY6A
Chemistry & industry
Additional notes
DefinitionChEBI: (R)-dyphylline is the (R)-enantiomer of dyphylline. It is an enantiomer of a (S)-dyphylline.
Related reactions
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Compound notes
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