N(6)-(3-iodo-4-hydroxyphenyl)-1-isopropyladenosine
Basic information
- CAS
92530-58-0- Standard SMILES
C[C@H](Cc1ccc(O)c(I)c1)Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
UYWJRWJYHIMDES-TXJVNAGYSA-N- Molecular formula
- C19H22IN5O5
- Average molar mass
- 527.3 g/mol
- Monoisotopic mass
- 527.06657
Overview
RN given refers to (-)-isomer; structure given in first source
Names & identifiers
- Preferred name
- N(6)-(3-iodo-4-hydroxyphenyl)-1-isopropyladenosine
- IUPAC
- (3R,4S,5R)-2-[6-[[(2R)-1-(4-hydroxy-3-iodophenyl)propan-2-yl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- N(6)-(3-iodo-4-hydroxyphenyl)-1-isopropyladenosine
- Molecular formula
- C19H22IN5O5
- Molecular weight
- 527.31295
Names & synonyms
4-IhpiaN(6)-(3-Iodo-4-hydroxyphenyl)-1-isopropyladenosine92530-58-0RefChem:160739(3R,4S,5R)-2-[6-[[(2R)-1-(4-hydroxy-3-iodophenyl)propan-2-yl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolDTXSID00919123Adenosine, N-(2-(4-hydroxy-3-iodophenyl)-1-methylethyl)-, (R)-N-[(2R)-1-(4-Hydroxy-3-iodophenyl)propan-2-yl]-9-D-ribofuranosyl-9H-purin-6-amineN-[1-(4-Hydroxy-3-iodophenyl)propan-2-yl]-9-pentofuranosyl-9H-purin-6-amine
Database identifiers
- CAS
92530-58-0- PubChem CID
- 5486892
- DTXSID
DTXSID00919123
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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