[(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate

C6H12O7S2 — CID 57452485

IUPAC[(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1COC[C@H]1OS(C)(=O)=O
InChIInChI=1S/C6H12O7S2/c1-14(7,8)12-5-3-11-4-6(5)13-15(2,9)10/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyBXOTVHIXLFYZMN-PHDIDXHHSA-N
MW260.29 g/mol
LogP-1.29
Rot. Bonds4

About [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate

[(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate (PubChem CID 57452485) has the molecular formula C6H12O7S2 and a molecular weight of 260.29 g/mol. Its IUPAC name is [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate
PubChem CID57452485
Molecular FormulaC6H12O7S2
Molecular Weight260.29 g/mol
Exact Mass260.00
IUPAC Name[(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1COC[C@H]1OS(C)(=O)=O
InChIInChI=1S/C6H12O7S2/c1-14(7,8)12-5-3-11-4-6(5)13-15(2,9)10/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyBXOTVHIXLFYZMN-PHDIDXHHSA-N
XLogP-1.29
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate?
The IUPAC name of [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate (CID 57452485) is [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate?
The canonical SMILES for [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate is CS(=O)(=O)O[C@@H]1COC[C@H]1OS(C)(=O)=O.
What is the InChIKey of [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate?
The InChIKey is BXOTVHIXLFYZMN-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O7S2/c1-14(7,8)12-5-3-11-4-6(5)13-15(2,9)10/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate?
[(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate has a molecular weight of 260.29 g/mol, XLogP of -1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate is sourced from PubChem (CID 57452485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).