(8-Benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzoate
Basic information
- CAS
17688-30-1- Standard SMILES
COC1OC2COC(c3ccccc3)OC2C(OC(=S)SCc2ccccc2)C1OC(=O)c1ccccc1- InChIKey
CMZOMWILZSQSNY-UHFFFAOYSA-N- Molecular formula
- C29H28O7S2
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.12764558
Names & identifiers
- Preferred name
- (8-Benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzoate
- IUPAC
- (8-benzylsulfanylcarbothioyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzoate
Names & synonyms
NSC18532517688-30-1DTXSID80307009ZINC05203126NSC-185325Methyl 2-O-benzoyl-4,6-O-benzylidene-3-O-[(benzylsulfanyl)carbonothioyl]hexopyranoside
Database identifiers
- CAS
17688-30-1- PubChem CID
- 302246
- DTXSID
DTXSID80307009
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 764
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Related reactions
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Compound notes
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