Basic information
- Standard SMILES
Cc1ccc(S[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2O)cc1- InChIKey
XRXBTVFVVSJYRE-PXJJNHDGSA-N- Molecular formula
- C34H30O8S
- Average molar mass
- 598.7 g/mol
Names & identifiers
- Preferred name
- p-Methylphenyl 3,4,6-Tri-O-benzoyl-1-thio-beta-D-galactopyranoside
- IUPAC
- [(2R,3S,4R,5R,6S)-3,4-dibenzoyloxy-5-hydroxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate
Names & synonyms
SCHEMBL7030017XRXBTVFVVSJYRE-PXJJNHDGSA-Np-Methylphenyl 3,4,6-Tri-O-benzoyl-1-thio-beta-D-galactopyranosidep-Methylphenyl 3,4,6Tri-O-benzoyl-1-thio-beta-D-galactopyranoside
Database identifiers
- PubChem CID
- 69964972
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 902
Related reactions
2 records
Compound notes
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