Basic information
- Standard SMILES
CCOC1O[C@@H](CO)[C@H](COc2c(C(C)(C)C)cc(SC(C)(C)Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2C(C)(C)C)O1- InChIKey
YSBIUPKSQVDYDX-BVKSZRQYSA-N- Molecular formula
- C38H60O6S2
- Average molar mass
- 677 g/mol
- Monoisotopic mass
- 676.38313198
Names & identifiers
- Preferred name
- 2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl-[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol
- IUPAC
- 2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[[(4S,5S)-2-ethoxy-5-(hydroxymethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]sulfanylpropan-2-ylsulfanyl]phenol
Names & synonyms
SCHEMBL5574412YSBIUPKSQVDYDX-BVKSZRQYSA-N2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl-[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol
Database identifiers
- PubChem CID
- 11285366
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 897
Related reactions
1 records
Linked notes
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