[(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate

C12H22O7S — CID 54078925

IUPAC[(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate
SMILESCOC1C[C@H](OS(C)(=O)=O)[C@@H](COC2CCCCO2)O1
InChIInChI=1S/C12H22O7S/c1-15-12-7-9(19-20(2,13)14)10(18-12)8-17-11-5-3-4-6-16-11/h9-12H,3-8H2,1-2H3/t9-,10+,11?,12?/m0/s1
InChIKeyMLRQBPNPQCPAOK-DMOGRIERSA-N
MW310.37 g/mol
LogP0.64
Rot. Bonds6

About [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate

[(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate (PubChem CID 54078925) has the molecular formula C12H22O7S and a molecular weight of 310.37 g/mol. Its IUPAC name is [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate
PubChem CID54078925
Molecular FormulaC12H22O7S
Molecular Weight310.37 g/mol
Exact Mass310.11
IUPAC Name[(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate
SMILESCOC1C[C@H](OS(C)(=O)=O)[C@@H](COC2CCCCO2)O1
InChIInChI=1S/C12H22O7S/c1-15-12-7-9(19-20(2,13)14)10(18-12)8-17-11-5-3-4-6-16-11/h9-12H,3-8H2,1-2H3/t9-,10+,11?,12?/m0/s1
InChIKeyMLRQBPNPQCPAOK-DMOGRIERSA-N
XLogP0.64
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-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

Related Compounds

[(2R,3S,4R)-4-hydroxy-2-[[(2R)-oxan-2-yl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl] methanesulfonate
CID 129390139
[(2R,3S)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]-3-bicyclo[3.1.1]heptanyl] methanesulfonate
CID 54338804
[(1R,2R,4S,7S,9R,10S)-9-[(2R)-oxan-2-yl]oxy-2-tricyclo[5.2.1.04,10]decanyl] methanesulfonate
CID 94037251
[(1S,2R,4S,7R,9S,10S)-9-[(2R)-oxan-2-yl]oxy-2-tricyclo[5.2.1.04,10]decanyl] methanesulfonate
CID 124783280
2-methoxyoxepane
CID 24974084
[(2S,3S,4R,5R,6R)-3,4,5-trimethoxy-6-(oxolan-2-yloxymethyl)oxan-2-yl]methanol
CID 139800087
2-[2-[2-[2-[11-(oxan-2-yloxy)undecoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 142550860
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
tert-butyl (2S,4R)-4-[[(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyloxypyrrolidin-2-yl]methyl]-2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 57047135
[4-[4-[5-methyl-3-[(2R,4S,5R)-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]butyl]phenyl]methyl methanesulfonate
CID 24796945
[3-methyl-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 90823584

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate?
The IUPAC name of [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate (CID 54078925) is [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate?
The canonical SMILES for [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate is COC1C[C@H](OS(C)(=O)=O)[C@@H](COC2CCCCO2)O1.
What is the InChIKey of [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate?
The InChIKey is MLRQBPNPQCPAOK-DMOGRIERSA-N. The full InChI is InChI=1S/C12H22O7S/c1-15-12-7-9(19-20(2,13)14)10(18-12)8-17-11-5-3-4-6-16-11/h9-12H,3-8H2,1-2H3/t9-,10+,11?,12?/m0/s1.
What are the key properties of [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate?
[(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate has a molecular weight of 310.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-methoxy-2-(oxan-2-yloxymethyl)oxolan-3-yl] methanesulfonate is sourced from PubChem (CID 54078925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).