2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine
Basic information
- CAS
161536-31-8- Standard SMILES
Nc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1I- InChIKey
AFFIAFORFZHTLX-LSCFUAHRSA-N- Molecular formula
- C18H22IN7O4
- Average molar mass
- 527.3 g/mol
- Monoisotopic mass
- 527.0778
Names & identifiers
- Preferred name
- 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine
- IUPAC
- (2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 2-(2-(4-amino-3-iodophenyl)ethylamino)adenosine
- Molecular formula
- C18H22IN7O4
- Molecular weight
- 527.32
Names & synonyms
161536-31-82-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine2-(2-(4-Amino-3-(125I)iodophenyl)ethylamino)adenosineRefChem:83972(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol(2R,3R,4S,5R)-2-(6-Amino-2-((4-amino-3-iodophenethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol(2R,3R,4S,5R)-2-(6-amino-2-{[2-(4-amino-3-iodophenyl)ethyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolSCHEMBL30388657DTXSID70936544PDSP1_000307PDSP2_0003052-{[2-(4-Amino-3-iodophenyl)ethyl]imino}-2-hydroadenosine
Show more names
Adenosine, 2-[[2-(4-amino-3-iodophenyl)ethyl]amino]- (9CI)
2-{[2-(4-Amino-3-iodophenyl)ethyl]imino}-9-pentofuranosyl-2,9-dihydro-1H-purin-6-amine
Database identifiers
- CAS
161536-31-8- PubChem CID
- 190964
- DTXSID
DTXSID70936544- Nikkaji
- J635.442D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 581
Physicochemical properties
- Boiling point
- 856.9 · 856.9±75.0 °C(Predicted)
- Density
- 2.13 · 2.13±0.1 g/cm3(Predicted)
- pka
- 13.1 · 13.10±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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