5'-(6-Aminopurin-9-yl)-5'-deoxyribofuranose 1',2'-cyclic monophosphate
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Basic information
- CAS
84498-18-0- Standard SMILES
Nc1ncnc2c1ncn2CC1=C[C@@H](O)[C@@H](OP(=O)(O)O)O1- InChIKey
PRTRQSAZALCBPW-LHLIQPBNSA-N- Molecular formula
- C10H12N5O6P
- Average molar mass
- 329.21 g/mol
- Monoisotopic mass
- 329.05252012
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5'-(6-Aminopurin-9-yl)-5'-deoxyribofuranose 1',2'-cyclic monophosphate
- IUPAC
- [(2R,3R)-5-[(6-aminopurin-9-yl)methyl]-3-hydroxy-2,3-dihydrofuran-2-yl] dihydrogen phosphate
- English name
- 5'-(6-aminopurin-9-yl)-5'-deoxyribofuranose 1',2'-cyclic monophosphate
- Molecular formula
- C10H12N5O6P
- Molecular weight
- 329.21
Names & synonyms
AD-Cycl amp84498-18-05'-(6-Aminopurin-9-yl)-5'-deoxyribofuranose 1',2'-cyclic monophosphateDTXSID50233487alpha-D-Ribofuranose, 5-(6-amino-9H-purin-9-yl)-5-deoxy-, cyclic 1,2-(hydrogen phosphate)RefChem:100747DTXCID50155978(2R,3R)-5-[(6-Amino-9H-purin-9-yl)methyl]-3-hydroxy-2,3-dihydrofuran-2-yl dihydrogen phosphateα-D-Ribofuranose, 5-(6-amino-9H-purin-9-yl)-5-deoxy-, cyclic 1,2-(hydrogen phosphate) (9CI)[(2R,3R)-5-[(6-aminopurin-9-yl)methyl]-3-hydroxy-2,3-dihydrofuran-2-yl] dihydrogen phosphate
Database identifiers
- CAS
84498-18-0- PubChem CID
- 196284
- DTXSID
DTXSID50233487
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Boiling point
- 688.9 · 688.9±65.0 °C(Predicted)
- Density
- 2.47 · 2.47±0.1 g/cm3(Predicted)
- pka
- 1.08 · 1.08±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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