[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid

C6H12O8S — CID 162640044

IUPAC[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
SMILESO=S(=O)(O)C[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
InChIKeyQFBWOLBPVQLZEH-RWOPYEJCSA-N
MW244.22 g/mol
LogP-3.33
Rot. Bonds2

About [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid (PubChem CID 162640044) has the molecular formula C6H12O8S and a molecular weight of 244.22 g/mol. Its IUPAC name is [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid.

Molecular Properties

Compound Name[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
PubChem CID162640044
Molecular FormulaC6H12O8S
Molecular Weight244.22 g/mol
Exact Mass244.03
IUPAC Name[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
SMILESO=S(=O)(O)C[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
InChIKeyQFBWOLBPVQLZEH-RWOPYEJCSA-N
XLogP-3.33
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-3.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid?
The IUPAC name of [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid (CID 162640044) is [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid.
What is the SMILES notation for [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid?
The canonical SMILES for [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid is O=S(=O)(O)C[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid?
The InChIKey is QFBWOLBPVQLZEH-RWOPYEJCSA-N. The full InChI is InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5+,6-/m1/s1.
What are the key properties of [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid?
[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid has a molecular weight of 244.22 g/mol, XLogP of -3.33, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid is sourced from PubChem (CID 162640044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).