Basic information
- CAS
120225-53-8- Standard SMILES
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O- InChIKey
UQERKZWKUCVXID-QCUYGVNKSA-N- Molecular formula
- C20H25N7O4
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.1968023
Overview
adenosine receptor agonist; structure given in first source
Names & identifiers
- Preferred name
- 2-phenethylamino-5'-N-ethylcarboxamidoadenosine
- IUPAC
- (2S,3S,4R,5R)-5-[6-amino-2-(2-phenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
- English name
- (2S,3S,4R,5R)-5-[6-amino-2-(phenethylamino)purin-9-yl]-N-ethyl-3,4-dih ydroxy-oxolane-2-carboxamide
- Molecular formula
- C20H25N7O4
- Molecular weight
- 427.46
Names & synonyms
Cgs-21577120225-53-82-Phenethylamino-5'-N-ethylcarboxamidoadenosinebeta-D-Ribofuranuronamide, 1-(6-amino-2-((2-phenylethyl)amino)-9H-purin-9-yl)-1-deoxy-N-ethyl-RefChem:89005Cgs 21577CHEMBL2042298BDBM50385958PDSP1_001207PDSP2_001191(2S,3S,4R,5R)-5-[6-amino-2-(2-phenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide(2S,3S,4R,5R)-5-[6-amino-2-(phenethylamino)purin-9-yl]-N-ethyl-3,4-dih ydroxy-oxolane-2-carboxamide
Show more names
β-D-Ribofuranuronamide, 1-[6-amino-2-[(2-phenylethyl)amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-
1-[6-Amino-2-[(2-phenylethyl)amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-|A-D-ribofuranuronamide
Database identifiers
- CAS
120225-53-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 608
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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