(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid

C5H10O6S — CID 22853908

IUPAC(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid
SMILESO=S(=O)(O)C1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H10O6S/c6-2-4-3(7)1-5(11-4)12(8,9)10/h3-7H,1-2H2,(H,8,9,10)/t3-,4+,5?/m0/s1
InChIKeyAZGPBMFJVDJEQQ-PYHARJCCSA-N
MW198.20 g/mol
LogP-1.66
Rot. Bonds2

About (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid

(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid (PubChem CID 22853908) has the molecular formula C5H10O6S and a molecular weight of 198.20 g/mol. Its IUPAC name is (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid.

Molecular Properties

Compound Name(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid
PubChem CID22853908
Molecular FormulaC5H10O6S
Molecular Weight198.20 g/mol
Exact Mass198.02
IUPAC Name(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid
SMILESO=S(=O)(O)C1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C5H10O6S/c6-2-4-3(7)1-5(11-4)12(8,9)10/h3-7H,1-2H2,(H,8,9,10)/t3-,4+,5?/m0/s1
InChIKeyAZGPBMFJVDJEQQ-PYHARJCCSA-N
XLogP-1.66
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid?
The IUPAC name of (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid (CID 22853908) is (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid.
What is the SMILES notation for (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid?
The canonical SMILES for (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid is O=S(=O)(O)C1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid?
The InChIKey is AZGPBMFJVDJEQQ-PYHARJCCSA-N. The full InChI is InChI=1S/C5H10O6S/c6-2-4-3(7)1-5(11-4)12(8,9)10/h3-7H,1-2H2,(H,8,9,10)/t3-,4+,5?/m0/s1.
What are the key properties of (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid?
(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid has a molecular weight of 198.20 g/mol, XLogP of -1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid is sourced from PubChem (CID 22853908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).