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[4-Acetyloxy-6-[3,4-diacetyloxy-2,5-bis(methylsulfonyloxymethyl)oxolan-2-yl]oxy-5-methylsulfonyloxy-2-(methylsulfonyloxymethyl)oxan-3-yl] acetate

HCID 234469
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Basic information

CAS
79507-60-1
Standard SMILES
CC(=O)OC1C(COS(C)(=O)=O)OC(OC2(COS(C)(=O)=O)OC(COS(C)(=O)=O)C(OC(C)=O)C2OC(C)=O)C(OS(C)(=O)=O)C1OC(C)=O
InChIKey
CNTZGRASQFIYEL-UHFFFAOYSA-N
Molecular formula
C24H38O23S4
Average molar mass
822.8 g/mol
Monoisotopic mass
822.06867215

Names & identifiers

Preferred name
[4-Acetyloxy-6-[3,4-diacetyloxy-2,5-bis(methylsulfonyloxymethyl)oxolan-2-yl]oxy-5-methylsulfonyloxy-2-(methylsulfonyloxymethyl)oxan-3-yl] acetate
IUPAC
[4-acetyloxy-6-[3,4-diacetyloxy-2,5-bis(methylsulfonyloxymethyl)oxolan-2-yl]oxy-5-methylsulfonyloxy-2-(methylsulfonyloxymethyl)oxan-3-yl] acetate

Names & synonyms

NSC3443979507-60-1[4-acetyloxy-6-[3,4-diacetyloxy-2,5-bis(methylsulfonyloxymethyl)oxolan-2-yl]oxy-5-methylsulfonyloxy-2-(methylsulfonyloxymethyl)oxan-3-yl] acetateDTXSID70283944NSC-34439[4-acetoxy-6-[3,4-diacetoxy-2,5-bis(methylsulfonyloxymethyl)tetrahydrofuran-2-yl]oxy-5-methylsulfonyloxy-2-(methylsulfonyloxymethyl)tetrahydropyran-3-yl] acetate3,4-di-O-acetyl-1,6-bis-O-(methylsulfonyl)hex-2-ulofuranosyl 3,4-di-O-acetyl-2,6-bis-O-(methylsulfonyl)hexopyranoside3,4-Di-O-acetyl-1,6-di-O-(methanesulfonyl)hex-2-ulofuranosyl 3,4-di-O-acetyl-2,6-di-O-(methanesulfonyl)hexopyranoside

Database identifiers

CAS
79507-60-1
PubChem CID
234469
DTXSID
DTXSID70283944

Properties

Computed structural properties

XLogP
-2.8
Topological polar surface area
340 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
23
Rotatable bonds
21
Heavy atoms
51
Formal charge
0
Complexity
1,720

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Compound notes

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