Basic information
- Standard SMILES
COc1ncc(-c2cccc(O[C@@H]3SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)cn1- InChIKey
XSKMDUBIWPXMHA-PLACYPQZSA-N- Molecular formula
- C22H24N2O8S
- Average molar mass
- 476.5 g/mol
Names & identifiers
- Preferred name
- 3-(2-Methoxy-5-pyrimidinyl)phenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside
- IUPAC
- [(3S,4S,5R,6R)-4,5-diacetyloxy-6-[3-(2-methoxypyrimidin-5-yl)phenoxy]thian-3-yl] acetate
Names & synonyms
SCHEMBL2409361XSKMDUBIWPXMHA-PLACYPQZSA-N3-(2-Methoxy-5-pyrimidinyl)phenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside
Database identifiers
- PubChem CID
- 67396331
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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