[(2R)-1-hydroxypropan-2-yl] methanesulfonate

C4H10O4S — CID 119025854

IUPAC[(2R)-1-hydroxypropan-2-yl] methanesulfonate
SMILESC[C@H](CO)OS(C)(=O)=O
InChIInChI=1S/C4H10O4S/c1-4(3-5)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-/m1/s1
InChIKeyAHTOKBNEPGPRHL-SCSAIBSYSA-N
MW154.19 g/mol
LogP-0.66
Rot. Bonds3

About [(2R)-1-hydroxypropan-2-yl] methanesulfonate

[(2R)-1-hydroxypropan-2-yl] methanesulfonate (PubChem CID 119025854) has the molecular formula C4H10O4S and a molecular weight of 154.19 g/mol. Its IUPAC name is [(2R)-1-hydroxypropan-2-yl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-1-hydroxypropan-2-yl] methanesulfonate
PubChem CID119025854
Molecular FormulaC4H10O4S
Molecular Weight154.19 g/mol
Exact Mass154.03
IUPAC Name[(2R)-1-hydroxypropan-2-yl] methanesulfonate
SMILESC[C@H](CO)OS(C)(=O)=O
InChIInChI=1S/C4H10O4S/c1-4(3-5)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-/m1/s1
InChIKeyAHTOKBNEPGPRHL-SCSAIBSYSA-N
XLogP-0.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(2R)-1-hydroxypropan-2-yl] methanesulfonate?
The IUPAC name of [(2R)-1-hydroxypropan-2-yl] methanesulfonate (CID 119025854) is [(2R)-1-hydroxypropan-2-yl] methanesulfonate.
What is the SMILES notation for [(2R)-1-hydroxypropan-2-yl] methanesulfonate?
The canonical SMILES for [(2R)-1-hydroxypropan-2-yl] methanesulfonate is C[C@H](CO)OS(C)(=O)=O.
What is the InChIKey of [(2R)-1-hydroxypropan-2-yl] methanesulfonate?
The InChIKey is AHTOKBNEPGPRHL-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10O4S/c1-4(3-5)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of [(2R)-1-hydroxypropan-2-yl] methanesulfonate?
[(2R)-1-hydroxypropan-2-yl] methanesulfonate has a molecular weight of 154.19 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxypropan-2-yl] methanesulfonate is sourced from PubChem (CID 119025854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).