[(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate

C12H24O8S2 — CID 10338580

IUPAC[(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate
SMILESC[C@H](COS(C)(=O)=O)[C@H](COS(C)(=O)=O)OC1CCCCO1
InChIInChI=1S/C12H24O8S2/c1-10(8-18-21(2,13)14)11(9-19-22(3,15)16)20-12-6-4-5-7-17-12/h10-12H,4-9H2,1-3H3/t10-,11+,12?/m1/s1
InChIKeyNJMIRYMQHBHQLA-UBNQGINQSA-N
MW360.45 g/mol
LogP0.49
Rot. Bonds9

About [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate

[(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate (PubChem CID 10338580) has the molecular formula C12H24O8S2 and a molecular weight of 360.45 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate
PubChem CID10338580
Molecular FormulaC12H24O8S2
Molecular Weight360.45 g/mol
Exact Mass360.09
IUPAC Name[(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate
SMILESC[C@H](COS(C)(=O)=O)[C@H](COS(C)(=O)=O)OC1CCCCO1
InChIInChI=1S/C12H24O8S2/c1-10(8-18-21(2,13)14)11(9-19-22(3,15)16)20-12-6-4-5-7-17-12/h10-12H,4-9H2,1-3H3/t10-,11+,12?/m1/s1
InChIKeyNJMIRYMQHBHQLA-UBNQGINQSA-N
XLogP0.49
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate with MolForge

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Related Compounds

[2-(4-methylphenyl)-2-(oxan-2-yloxy)ethyl] methanesulfonate
CID 18003711
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
CID 54016843
[2-(2-aminophenyl)-2-(oxan-2-yloxy)ethyl] methanesulfonate
CID 18003684
[2-(1,3-benzodioxol-5-yl)-2-(oxan-2-yloxy)ethyl] methanesulfonate
CID 18003674
2-butan-2-yloxyoxane
CID 559028
2-[2-[2-[2-[11-(oxan-2-yloxy)undecoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 142550860
[(2R)-oxan-2-yl]methyl methanesulfonate
CID 86621777
2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane
CID 169311786
2-(oxan-2-yloxy)propanoic acid
CID 542280
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
3-(oxan-2-yloxy)butanoic acid
CID 14279636
[3-methyl-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 90823584

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate?
The IUPAC name of [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate (CID 10338580) is [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate.
What is the SMILES notation for [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate?
The canonical SMILES for [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate is C[C@H](COS(C)(=O)=O)[C@H](COS(C)(=O)=O)OC1CCCCO1.
What is the InChIKey of [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate?
The InChIKey is NJMIRYMQHBHQLA-UBNQGINQSA-N. The full InChI is InChI=1S/C12H24O8S2/c1-10(8-18-21(2,13)14)11(9-19-22(3,15)16)20-12-6-4-5-7-17-12/h10-12H,4-9H2,1-3H3/t10-,11+,12?/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate?
[(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate has a molecular weight of 360.45 g/mol, XLogP of 0.49, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate is sourced from PubChem (CID 10338580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).