[(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid

C6H12O7S — CID 18393342

IUPAC[(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid
SMILESCO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O7S/c1-12-6-5(8)4(7)3(13-6)2-14(9,10)11/h3-8H,2H2,1H3,(H,9,10,11)/t3-,4-,5+,6+/m1/s1
InChIKeyHVTMTLWAQMNGDM-ZXXMMSQZSA-N
MW228.22 g/mol
LogP-2.03
Rot. Bonds3

About [(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid

[(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid (PubChem CID 18393342) has the molecular formula C6H12O7S and a molecular weight of 228.22 g/mol. Its IUPAC name is [(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid.

Molecular Properties

Compound Name[(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid
PubChem CID18393342
Molecular FormulaC6H12O7S
Molecular Weight228.22 g/mol
Exact Mass228.03
IUPAC Name[(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid
SMILESCO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O7S/c1-12-6-5(8)4(7)3(13-6)2-14(9,10)11/h3-8H,2H2,1H3,(H,9,10,11)/t3-,4-,5+,6+/m1/s1
InChIKeyHVTMTLWAQMNGDM-ZXXMMSQZSA-N
XLogP-2.03
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid?
The IUPAC name of [(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid (CID 18393342) is [(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid.
What is the SMILES notation for [(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid?
The canonical SMILES for [(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid is CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid?
The InChIKey is HVTMTLWAQMNGDM-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H12O7S/c1-12-6-5(8)4(7)3(13-6)2-14(9,10)11/h3-8H,2H2,1H3,(H,9,10,11)/t3-,4-,5+,6+/m1/s1.
What are the key properties of [(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid?
[(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid has a molecular weight of 228.22 g/mol, XLogP of -2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methanesulfonic acid is sourced from PubChem (CID 18393342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).