(5'-Deoxyadenosyl)(4-(3-indolyl)but-1-yl)methylsulfonium
Basic information
- CAS
86550-55-2- Standard SMILES
COS(=O)(=O)[O-].C[SH+]C(CCCCc1c[nH]c2ccccc12)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O- InChIKey
GTJXAVJAJXKNDY-NTIQLPHSSA-N- Molecular formula
- C24H32N6O7S2
- Average molar mass
- 580.7 g/mol
- Monoisotopic mass
- 580.17738973
Overview
inhibitor of indole methyltransferase; RN given refers to methosulfate salt without isomeric designation; RN & structure from first source
Names & identifiers
- Preferred name
- (5'-Deoxyadenosyl)(4-(3-indolyl)but-1-yl)methylsulfonium
- IUPAC
- [1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-5-(1H-indol-3-yl)pentyl]-methylsulfanium;methyl sulfate
- English name
- (5'-deoxyadenosyl)(4-(3-indolyl)but-1-yl)methylsulfonium
- Molecular formula
- C24H32N6O7S2
- Molecular weight
- 580.67688
Names & synonyms
5'-Daibms(5'-Deoxyadenosyl)(4-(3-indolyl)but-1-yl)methylsulfonium86550-55-2RefChem:69579Adenosine, 5'-deoxy-5'-((4-(1H-indol-3-yl)butyl)methylsulfonio)-, methyl sulfate (salt)
Database identifiers
- CAS
86550-55-2- PubChem CID
- 129011808
Properties
Computed structural properties
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 740
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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