(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid

C6H14O7S — CID 173247961

IUPAC(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H10O4.CH4O3S/c6-1-4-5(8)3(7)2-9-4;1-5(2,3)4/h3-8H,1-2H2;1H3,(H,2,3,4)/t3-,4+,5-;/m0./s1
InChIKeyZKZLENSWAMNZQD-VEGRVEBRSA-N
MW230.24 g/mol
LogP-2.40
Rot. Bonds1

About (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid

(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid (PubChem CID 173247961) has the molecular formula C6H14O7S and a molecular weight of 230.24 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
PubChem CID173247961
Molecular FormulaC6H14O7S
Molecular Weight230.24 g/mol
Exact Mass230.05
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H10O4.CH4O3S/c6-1-4-5(8)3(7)2-9-4;1-5(2,3)4/h3-8H,1-2H2;1H3,(H,2,3,4)/t3-,4+,5-;/m0./s1
InChIKeyZKZLENSWAMNZQD-VEGRVEBRSA-N
XLogP-2.40
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S,5R)-2-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate
CID 172826559
[(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
CID 174540210
[(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate
CID 174540211
(3,5-Dihydroxyoxolan-2-yl)methyl methanesulfonate
CID 247707
(3-Hydroxy-4-methylsulfonyloxyoxolan-2-yl)methyl methanesulfonate
CID 429634
[(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate
CID 11095253
[(3S,4S)-4-hydroxyoxolan-3-yl] methanesulfonate
CID 14963749
[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate
CID 19971388
(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid
CID 22848230
(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid
CID 22853908
[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate
CID 53852078
(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid
CID 56980527

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid (CID 173247961) is (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid is CS(=O)(=O)O.OC[C@H]1OC[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid?
The InChIKey is ZKZLENSWAMNZQD-VEGRVEBRSA-N. The full InChI is InChI=1S/C5H10O4.CH4O3S/c6-1-4-5(8)3(7)2-9-4;1-5(2,3)4/h3-8H,1-2H2;1H3,(H,2,3,4)/t3-,4+,5-;/m0./s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid?
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid has a molecular weight of 230.24 g/mol, XLogP of -2.40, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid is sourced from PubChem (CID 173247961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).