2-(2-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
4546-54-7- Standard SMILES
Nc1ncc2ncn(C3OC(CO)C(O)C3O)c2n1- InChIKey
JVOJULURLCZUDE-UHFFFAOYSA-N- Molecular formula
- C10H13N5O4
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.09675391
Names & identifiers
- Preferred name
- 2-(2-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(2-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 2-Aminopurine riboside
- Molecular formula
- C10H13N5O4
- Molecular weight
- 267.24
Names & synonyms
2-Aminopurine riboside2-(2-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol9-pentofuranosyl-9h-purin-2-amineNSC369069H-Purin-2-amine, 9-beta-D-ribofuranosyl-9H-Purin-2-amine, 9-.beta.-D-ribofuranosyl-DTXSID10284359NSC-36906AKOS0302421159H-purine, 2-amino-9-beta-d-ribofuranosyl-,9H-Purine, 2-amino-9-.beta.-D-ribofuranosyl-2-(2-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Show more names
NSC 369062-NH2-riboside2-NH2-purine-riboside2-Amino-9--D-ribofuranosylpurine2-Aminopurine riboside USP/EP/BP2-Amino-9-b-D-ribofuranosylpurine2-AMINO-9-Β-D-RIBOFURANOSYLPURINE2-Amino-9-(beta-D-ribofuranosyl)-9H2-Amino-purine-riboside (hemihydrate)
Database identifiers
- CAS
4546-54-7- PubChem CID
- 235489
- DTXSID
DTXSID10284359
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 105 · 105-115°C
- Boiling point
- 711.8 · 711.8±70.0 °C(Predicted)
- Density
- 2.08 · 2.08±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly)
- pka
- 13.12 · 13.12±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- CAS DataBase Reference
- 4546 · 4546-54-7
Chemistry & industry
Applications
UsesA probe of structural dynamicas and charge transfer in DNA
Uses2-Aminopurine Riboside is a probe of structural dynamics and charge transfer in DNA. Potential activator or inhibitor of B. anthracis spore germination.
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