Basic information
- CAS
1818195-01-5- Standard SMILES
Nc1nc2c(ncn2CCCn2cc(COC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)nn2)c(=O)[nH]1- InChIKey
VAJVGIVFEATJAT-LFMWZXAVSA-N- Molecular formula
- C21H25N13O6
- Average molar mass
- 555.5 g/mol
- Monoisotopic mass
- 555.20507557
Names & identifiers
- Preferred name
- 5'-O-({1-[3-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)propyl]-1H-1,2,3-triazol-4-yl}methyl)guanosine
- IUPAC
- 2-amino-9-[3-[4-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl]triazol-1-yl]propyl]-1H-purin-6-one
Names & synonyms
CHEMBL3623651DTXSID7011123041818195-01-55'-O-({1-[3-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)propyl]-1H-1,2,3-triazol-4-yl}methyl)guanosineGuanosine, 5a(2)-O-[[1-[3-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)propyl]-1H-1,2,3-triazol-4-yl]methyl]-
Database identifiers
- CAS
1818195-01-5- PubChem CID
- 137028362
- DTXSID
DTXSID701112304- ChEMBL
CHEMBL3623651- Nikkaji
- J3.484.969B
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 260 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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