AC1L6SSR structure

AC1L6SSR

[2-[2,2-dimethyl-6-(4-methylphenyl)sulfonyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(4-methylphenyl)sulfonyloxyethyl] 4-methylbenzenesulfonate

Also Known As: [2-[2,2-dimethyl-6-(4-methylphenyl)sulfonyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(4-methylphenyl)sulfonyloxyethyl] 4-methylbenzenesulfonate|3,5,6-Tri-O-benzyl-1,2-O-Isopropylidene-a-D-glucofuranose|3,5,6-Tris-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)hexofuranose|3-[1,2-bis-(4-methylphenyl)sulfonyloxyethyl]-7,7-dimethyl-4-(4-methylphenyl)sulfonyloxy-2,6,8-trioxabicyclo[3.3.0]octane

CAS: 7022-86-8
Molecular Formula C30H34O12S3
Molecular Weight 682.1212 g/mol
LogP 4.5
Topological Polar Surface Area 183.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 12
Rotatable Bonds 11
Exact Mass 682.1212
Monoisotopic Mass 682.1212
Heavy Atoms 45
Complexity 1310.0

Chemical Identifiers

CAS Number 7022-86-8
SMILES CC1=CC=C(C=C1)S(=O)(=O)OCC(C2C(C3C(O2)OC(O3)(C)C)OS(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C
InChIKey ITXYVYHAEBCKRG-UHFFFAOYSA-N

Product Overview

AC1L6SSR (CAS 7022-86-8), with molecular formula C30H34O12S3 and molecular weight 682.1212 g/mol. IUPAC: [2-[2,2-dimethyl-6-(4-methylphenyl)sulfonyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(4-methylphenyl)sulfonyloxyethyl] 4-methylbenzenesulfonate.

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