Basic information
- CAS
72376-77-3- Standard SMILES
Cn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O- InChIKey
KSCFJBIXMNOVSH-LURJTMIESA-N- Molecular formula
- C10H14N4O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.10150494
Overview
(S)-dyphylline is the (S)-enantiomer of dyphylline. It is an enantiomer of a (R)-dyphylline.
Names & identifiers
- Preferred name
- Diprophylline, (S)-
- IUPAC
- 7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethylpurine-2,6-dione
- English name
- diprophylline
- Molecular formula
- C10H14N4O4
- Molecular weight
- 254.24
Names & synonyms
72376-77-3Diprophylline, (S)-S3D1493BSS1H-Purine-2,6-dione, 7-((2S)-2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-, (S)-RefChem:937922(S)-dyphylline7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione(S)-diprophylline7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethylpurine-2,6-dione[(2S)-1,2-dihydroxy-3-propyl]thiophyllin7-[(2S)-2,3-dihydroxypropyl]theophylline
Show more names
1H-Purine-2,6-dione, 7-[(2S)-2,3-dihydroxypropyl]-3,7-dihydro-1,3-diMethyl-
1,3-dimethyl-7-[(2S)-2,3-dihydroxypropyl]xanthine7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethylxanthine(S)-7-(2,3-Dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione7-[(2S)-2,3-dihydroxypropyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione2x0yUNII-S3D1493BSSSCHEMBL123781CHEBI:59847
Database identifiers
- CAS
Properties
Computed structural properties
- 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
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 589.6 · 589.6±60.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 13.74 · 13.74±0.20(Predicted)
- FDA UNII
- 3 D1493BSS · S3D1493BSS
Chemistry & industry
Suppliers3 total
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
Additional notes
DefinitionChEBI: (S)-dyphylline is the (S)-enantiomer of dyphylline. It is an enantiomer of a (R)-dyphylline.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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