(2R,3R,4S,5R)-2-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
60189-62-0- Standard SMILES
Nc1ncnc2cc3c(cc12)ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
SPJSEZDBZALDCW-HKUMRIAESA-N- Molecular formula
- C14H15N5O4
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.11240398
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- (2R,3R,4S,5R)-2-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- benzoadenosine
- Molecular formula
- C14H15N5O4
- Molecular weight
- 317.31
Names & synonyms
(2R,3R,4S,5R)-2-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolNSC 287022orb1702505AKOS040746617(2R,3R,4S,5R)-2-(8-amino-3H-imidazo[4,5-g]quinazolin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolCS-0064636T251453H-Imidazo(4,5-g)quinazolin-8-amine, 3-beta-D-ribofuranosyl-2-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolNSC287022NSC-287022benzoadenosine
Show more names
Lin-benzoadenosine3H-Imidazo[4,5-g]quinazolin-8-amine, 3-β-D-ribofuranosyl-
Database identifiers
- CAS
60189-62-0- PubChem CID
- 194101
- Nikkaji
- J2.924.367K
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 735.4 · 735.4±70.0 °C(Predicted)
- Density
- 1.93 · 1.93±0.1 g/cm3(Predicted)
- pka
- 13.2 · 13.20±0.70(Predicted)
Chemistry & industry
Applications
DescriptionBenzoadenosine inhibits kinase activity slightly less than does adenosine.
UsesBenzoadenosine is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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