6-Benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Basic information
- CAS
90302-11-7- Standard SMILES
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)nc1SCc1ccccc1- InChIKey
IKEYLHWZCCHPGE-UHFFFAOYSA-N- Molecular formula
- C15H17N3O6S
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.08380644
Names & identifiers
- Preferred name
- 6-Benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
- IUPAC
- 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Names & synonyms
NSC31962390302-11-7DTXSID80317643NSC-3196236-(Benzylsulfanyl)-2-pentofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione
Database identifiers
- CAS
90302-11-7- PubChem CID
- 330562
- DTXSID
DTXSID80317643
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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