2-(1-Hexyn-1-yl)adenosine-5'-uronamide
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Basic information
- CAS
142103-07-9- Standard SMILES
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(N)=O)[C@@H](O)[C@H]3O)c2n1- InChIKey
XKJDQMIBXVCPBQ-MEQWQQMJSA-N- Molecular formula
- C16H20N6O4
- Average molar mass
- 360.37 g/mol
- Monoisotopic mass
- 360.15460314
Overview
RN and structure given in first source
Names & identifiers
- Preferred name
- 2-(1-Hexyn-1-yl)adenosine-5'-uronamide
- IUPAC
- (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
- English name
- 2-(1-hexyn-1-yl)adenosine-5'-uronamide
- Molecular formula
- C16H20N6O4
- Molecular weight
- 360.37
Names & synonyms
2-(1-Hexyn-1-yl)adenosine-5'-uronamide142103-07-9DTXSID20161945RefChem:83818DTXCID0084436CHEMBL2113480SCHEMBL8102694BDBM50455607(2S,3S,4R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamideβ-D-Ribofuranuronamide, 1-[6-amino-2-(1-hexyn-1-yl)-9H-purin-9-yl]-1-deoxy-
Database identifiers
- CAS
142103-07-9- PubChem CID
- 197459
- DTXSID
DTXSID20161945- ChEMBL
CHEMBL2113480- Nikkaji
- J500.449G
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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