O(6)-(2-cyanoethyl)guanine
Basic information
- CAS
118822-55-2- Standard SMILES
N#CCCOc1nc(N)nc2nc[nH]c12- InChIKey
SGRXVOKUPDFBAC-UHFFFAOYSA-N- Molecular formula
- C8H8N6O
- Average molar mass
- 204.19 g/mol
- Monoisotopic mass
- 204.0759589
Overview
structure given in first source
Names & identifiers
- Preferred name
- O(6)-(2-cyanoethyl)guanine
- IUPAC
- 3-[(2-amino-7H-purin-6-yl)oxy]propanenitrile
- English name
- O(6)-(2-cyanoethyl)guanine
- Molecular formula
- C8H8N6O
- Molecular weight
- 204.19
Names & synonyms
O(6)-(2-Cyanoethyl)guanine118822-55-2DTXSID90152249RefChem:167022DTXCID20747403-[(2-amino-7h-purin-6-yl)oxy]propanenitrileSCHEMBL10578850Propanenitrile, 3-((2-amino-1H-purin-6-yl)oxy)-Propanenitrile, 3-[(2-amino-9H-purin-6-yl)oxy]-
Database identifiers
- CAS
118822-55-2- PubChem CID
- 164080
- DTXSID
DTXSID90152249
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…