10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate
Basic information
- CAS
40155-15-5- Standard SMILES
Cc1cccc(C)c1-n1c2nc(=O)n(C)c(=O)c-2nc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21- InChIKey
MWKWWOQQFABVOV-UHFFFAOYSA-N- Molecular formula
- C19H16N4O8S2
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.04095583
Names & identifiers
- Preferred name
- 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate
- IUPAC
- 10-(2,6-dimethylphenyl)-3-methyl-2,4-dioxobenzo[g]pteridine-6,8-disulfonic acid
Names & synonyms
40155-15-510-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonateDTXSID80193166Benzo(g)pteridine-6,8-disulfonic acid, 10-(2,6-dimethylphenyl)-2,3,4,10-tetrahydro-3-methyl-2,4-dioxo-RefChem:77400DTXCID9011565710-(2,6-dimethylphenyl)-3-methyl-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridine-6,8-disulfonic acid10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8- disulfonate
Database identifiers
- CAS
40155-15-5- PubChem CID
- 191012
- DTXSID
DTXSID80193166
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,130
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Compound notes
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