[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
Basic information
- CAS
280138-71-8- Standard SMILES
Nc1nc(NC2CC2)c2ncn([C@H]3CO[C@@H](CO)O3)c2n1- InChIKey
ATSMZGDYBPOXMZ-HTQZYQBOSA-N- Molecular formula
- C12H16N6O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.12838839
Names & identifiers
- Preferred name
- [(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
- IUPAC
- [(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
- English name
- (2R,4R)-4-[2-Amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
- Molecular formula
- C12H16N6O3
- Molecular weight
- 292.29
Names & synonyms
SPD-756280138-71-8BCH-13520[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanolN4WHM9I62P((2R,4R)-4-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)-1,3-dioxolan-2-yl)methanol((2R,4R)-4-(2-Amino-6-(cyclopropylamino)purin-9-yl)-1,3-dioxolan-2-yl)methanol1,3-Dioxolane-2-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (2R,4R)-DAPD-NHc-pr1,3-Dioxolane-2-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (2R,4R)-SPD 756ATSMZGDYBPOXMZ-HTQZYQBOSA-N
Show more names
SPD756BCH13520BCH 13520(2R,4R)-4-[2-Amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
UNII-N4WHM9I62PSCHEMBL130899orb1699258AKOS040749547HY-117105T28833Q27284556[4(R)-(2-Amino-6-cyclopropylamino-purin-9-yl)-[1,3]dioxolan-2(R)-yl]-methanol
Database identifiers
- CAS
280138-71-8- PubChem CID
- 485995
- UNII
- N4WHM9I62P
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 671.5 · 671.5±65.0 °C(Predicted)
- Density
- 1.96 · 1.96±0.1 g/cm3(Predicted)
- pka
- 14.83 · 14.83±0.10(Predicted)
- FDA UNII
- 4 WHM9I62P · N4WHM9I62P
Chemistry & industry
Applications
Uses[(2R,4R)-4-[2-Amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol is the monophosphate prodrug of DAPD which has its potential use in methods for treating or preventing cancer and viral infections, in particular, HIV and HBV.
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Related reactions
2 records
Compound notes
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