Basic information
- CAS
55520-49-5- Standard SMILES
O=C(OCC1OC(n2c(=O)[nH]c3scnc3c2=O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1- InChIKey
IPVAKHIEWGRLSU-UHFFFAOYSA-N- Molecular formula
- C31H23N3O9S
- Average molar mass
- 613.6 g/mol
- Monoisotopic mass
- 613.11550049
Names & identifiers
- Preferred name
- [3,4-dibenzoyloxy-5-(5,7-dioxo-4H-[1,3]thiazolo[5,4-d]pyrimidin-6-yl)oxolan-2-yl]methyl benzoate
- IUPAC
- [3,4-dibenzoyloxy-5-(5,7-dioxo-4H-[1,3]thiazolo[5,4-d]pyrimidin-6-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
55520-49-5NSC160801DTXSID50970865NSC-1608015-Hydroxy-6-(2,3,5-tri-O-benzoylpentofuranosyl)[1,3]thiazolo[5,4-d]pyrimidin-7(6H)-one
Database identifiers
- CAS
55520-49-5- PubChem CID
- 293733
- DTXSID
DTXSID50970865
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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