Basic information
- CAS
59946-18-8- Standard SMILES
O=c1c(-c2ccccc2)nn(C2OC(CO)C(O)C(O)C2O)c(=S)n1-c1ccccc1- InChIKey
ZGSBGRFLGSAMFR-UHFFFAOYSA-N- Molecular formula
- C21H21N3O6S
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.11510657
Names & identifiers
- Preferred name
- 4,6-Diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one
- IUPAC
- 4,6-diphenyl-3-sulfanylidene-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one
Names & synonyms
NSC26840259946-18-8DTXSID50313273NSC-2684022-Hexopyranosyl-4,6-diphenyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Database identifiers
- CAS
59946-18-8- PubChem CID
- 320495
- DTXSID
DTXSID50313273
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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