Metabolite 6-O-methylguanine
- Name
- 6-O-methylguanine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 9B710FV2AE
- CAS number
- Not Available
- Weight
- Average: 165.156
Monoisotopic: 165.065059865 - Chemical Formula
- C6H7N5O
- InChI Key
- BXJHWYVXLGLDMZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
- IUPAC Name
- 6-methoxy-9H-purin-2-amine
- SMILES
- COC1=NC(N)=NC2=C1N=CN2
- Reactions
- Nelarabine 6-O-methylguanine
- 6-O-methylguanine Guanine
- Nelarabine 6-O-methylguanine
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Human Metabolome Database
- HMDB0245002
- ChemSpider
- 58766
- BindingDB
- 5470
- ChEBI
- 20689
- ChEMBL
- CHEMBL226395
- ZINC
- ZINC000004770610
- PDBe Ligand
- 6GO
- Wikipedia
- 6-O-Methylguanine
- Predicted Properties
Property Value Source logP -0.0099 Chemaxon pKa (Strongest Acidic) 8.99 Chemaxon pKa (Strongest Basic) 4.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 89.71 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 43.01 m3·mol-1 Chemaxon Polarizability 15.49 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon