[(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate

C6H14O6S2 — CID 71310405

IUPAC[(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate
SMILESC[C@@H](OS(C)(=O)=O)[C@@H](C)OS(C)(=O)=O
InChIInChI=1S/C6H14O6S2/c1-5(11-13(3,7)8)6(2)12-14(4,9)10/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKeyWRAXODRAAIYKAW-PHDIDXHHSA-N
MW246.31 g/mol
LogP-0.28
Rot. Bonds5

About [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate

[(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate (PubChem CID 71310405) has the molecular formula C6H14O6S2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate.

Molecular Properties

Compound Name[(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate
PubChem CID71310405
Molecular FormulaC6H14O6S2
Molecular Weight246.31 g/mol
Exact Mass246.02
IUPAC Name[(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate
SMILESC[C@@H](OS(C)(=O)=O)[C@@H](C)OS(C)(=O)=O
InChIInChI=1S/C6H14O6S2/c1-5(11-13(3,7)8)6(2)12-14(4,9)10/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKeyWRAXODRAAIYKAW-PHDIDXHHSA-N
XLogP-0.28
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate?
The IUPAC name of [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate (CID 71310405) is [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate.
What is the SMILES notation for [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate?
The canonical SMILES for [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate is C[C@@H](OS(C)(=O)=O)[C@@H](C)OS(C)(=O)=O.
What is the InChIKey of [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate?
The InChIKey is WRAXODRAAIYKAW-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H14O6S2/c1-5(11-13(3,7)8)6(2)12-14(4,9)10/h5-6H,1-4H3/t5-,6-/m1/s1.
What are the key properties of [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate?
[(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate has a molecular weight of 246.31 g/mol, XLogP of -0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-methylsulfonyloxybutan-2-yl] methanesulfonate is sourced from PubChem (CID 71310405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).