Basic information
- CAS
55263-52-0- Standard SMILES
CS(=O)(=O)OC1C(COC(=O)c2ccccc2)OC(n2ccc(=O)[nH]c2=O)C1O- InChIKey
ILSRYSUVJATXQS-UHFFFAOYSA-N- Molecular formula
- C17H18N2O9S
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.07330133
Names & identifiers
- Preferred name
- 1-[5-o-Benzoyl-3-o-(methylsulfonyl)pentofuranosyl]pyrimidine-2,4(1h,3h)-dione
- IUPAC
- [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate
Names & synonyms
NSC832151-[5-o-benzoyl-3-o-(methylsulfonyl)pentofuranosyl]pyrimidine-2,4(1h,3h)-dioneDTXSID30292496NSC-832151-[5-O-Benzoyl-3-O-(methanesulfonyl)pentofuranosyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
55263-52-0、5567-78-2- PubChem CID
- 256396
- DTXSID
DTXSID30292496
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 785
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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