Basic information
- CAS
59964-65-7- Standard SMILES
CC(=O)OCC1OC(n2nc(-c3ccccc3)c(=O)n(-c3ccccc3)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
PPGHGPQLWSGNCF-UHFFFAOYSA-N- Molecular formula
- C29H29N3O10S
- Average molar mass
- 611.6 g/mol
- Monoisotopic mass
- 611.1573653
Names & identifiers
- Preferred name
- [3,4,5-Triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate
- IUPAC
- [3,4,5-triacetyloxy-6-(5-oxo-4,6-diphenyl-3-sulfanylidene-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetate
Names & synonyms
NSC26839759964-65-7DTXSID30313271NSC-2683974,6-Diphenyl-3-sulfanylidene-2-(2,3,4,6-tetra-O-acetylhexopyranosyl)-3,4-dihydro-1,2,4-triazin-5(2H)-one
Database identifiers
- CAS
59964-65-7- PubChem CID
- 320490
- DTXSID
DTXSID30313271
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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