Basic information
- Standard SMILES
COc1ccc(Cc2sc(C(C)C)cc2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1- InChIKey
MRWUUINXWMCZJW-UHFFFAOYSA-N- Molecular formula
- C29H36O11S
- Average molar mass
- 592.7 g/mol
- Monoisotopic mass
- 592.19783313
Names & identifiers
- Preferred name
- (4,5-Diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzyl)-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) acetate
- IUPAC
- [3,4,5-triacetyloxy-6-[2-[(4-methoxyphenyl)methyl]-5-propan-2-ylthiophen-3-yl]oxyoxan-2-yl]methyl acetate
Names & synonyms
SCHEMBL3681076MRWUUINXWMCZJW-UHFFFAOYSA-N(4,5-diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzyl)-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) acetate
Database identifiers
- PubChem CID
- 21045302
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 903
Related reactions
2 records
Compound notes
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