Basic information
- CAS
38874-39-4- Standard SMILES
CSc1ncnc2nn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)nc12- InChIKey
RGBLRBLKCYDDSY-UHFFFAOYSA-N- Molecular formula
- C31H25N5O7S
- Average molar mass
- 611.6 g/mol
- Monoisotopic mass
- 611.14746933
Names & identifiers
- Preferred name
- [3,4-Dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate
- IUPAC
- [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
38874-39-4NSC372343[3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl benzoateDTXSID80321240NSC-3723437-(Methylsulfanyl)-2-(2,3,5-tri-O-benzoylpentofuranosyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine
Database identifiers
- CAS
38874-39-4- PubChem CID
- 341002
- DTXSID
DTXSID80321240
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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