3-Methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane

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Basic information

CAS: 53796-89-7
Standard SMILES: COC1OCC2OC(C)(C)OC2C1OS(=O)(=O)c1ccc(C)cc1
InChIKey: KTMSTUJYKUUYGJ-UHFFFAOYSA-N
Molecular formula: C16H22O7S
Average molar mass: 358.4 g/mol
Monoisotopic mass: 358.10862421

Names & identifiers

Preferred name: 3-Methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane
IUPAC: (6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) 4-methylbenzenesulfonate

Names & synonyms

53796-89-7NSC1035576847-76-33-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonaneDTXSID10968581NSC108117NSC-103557NSC-108117DS-014260Methyl 2-O-(4-methylbenzene-1-sulfonyl)-3,4-O-(1-methylethylidene)pentopyranoside

Database identifiers

CAS: 53796-89-7、6847-76-3
PubChem CID: 266233
DTXSID: DTXSID10968581

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 88.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 533

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Compound notes

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