methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate

C8H16O6S — CID 146385308

IUPACmethyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
SMILESCO[C@H]1C[C@H](O)[C@@H](CCS(=O)(=O)OC)O1
InChIInChI=1S/C8H16O6S/c1-12-8-5-6(9)7(14-8)3-4-15(10,11)13-2/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyVOPUDMFIUGPDBL-XLPZGREQSA-N
MW240.28 g/mol
LogP-0.52
Rot. Bonds5

About methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate

methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate (PubChem CID 146385308) has the molecular formula C8H16O6S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
PubChem CID146385308
Molecular FormulaC8H16O6S
Molecular Weight240.28 g/mol
Exact Mass240.07
IUPAC Namemethyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
SMILESCO[C@H]1C[C@H](O)[C@@H](CCS(=O)(=O)OC)O1
InChIInChI=1S/C8H16O6S/c1-12-8-5-6(9)7(14-8)3-4-15(10,11)13-2/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyVOPUDMFIUGPDBL-XLPZGREQSA-N
XLogP-0.52
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate with MolForge

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Related Compounds

1-Sulfoquinovosylglycerol
CID 100920818
2-[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]ethanesulfonic acid
CID 14604294
(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropane-1-sulfonic acid
CID 11846774
(2R)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropane-1-sulfonic acid
CID 14252073
4-[2-(Hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]butane-1-sulfonyl fluoride
CID 24988527
Sulfonate arsenosugar
CID 101374313
1-(6-sulfo-alpha-D-quinovosyl)glycerol
CID 122706586
(3,4,5-Trihydroxy-6-propoxyoxan-2-yl)methanesulfonic acid
CID 362417
3-[5'-Deoxy-5'-(dimethylarsinoyl)-beta-ribofuranosyloxy]-2-hydroxypropanesulfonic acid
CID 6426714
(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropane-1-sulfonate
CID 102384237
[(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid
CID 18393342
[(3aR,5S,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanesulfonic acid
CID 18666966

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate?
The IUPAC name of methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate (CID 146385308) is methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate.
What is the SMILES notation for methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate?
The canonical SMILES for methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate is CO[C@H]1C[C@H](O)[C@@H](CCS(=O)(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate?
The InChIKey is VOPUDMFIUGPDBL-XLPZGREQSA-N. The full InChI is InChI=1S/C8H16O6S/c1-12-8-5-6(9)7(14-8)3-4-15(10,11)13-2/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m0/s1.
What are the key properties of methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate?
methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate has a molecular weight of 240.28 g/mol, XLogP of -0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate is sourced from PubChem (CID 146385308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).