(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid

C5H10O7S — CID 22848230

IUPAC(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid
SMILESO=S(=O)(O)C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H10O7S/c6-1-2-3(7)4(8)5(12-2)13(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3-,4-,5?/m1/s1
InChIKeyPCUBKGPIVCHCRG-SOOFDHNKSA-N
MW214.19 g/mol
LogP-2.69
Rot. Bonds2

About (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid

(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid (PubChem CID 22848230) has the molecular formula C5H10O7S and a molecular weight of 214.19 g/mol. Its IUPAC name is (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid.

Molecular Properties

Compound Name(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid
PubChem CID22848230
Molecular FormulaC5H10O7S
Molecular Weight214.19 g/mol
Exact Mass214.01
IUPAC Name(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid
SMILESO=S(=O)(O)C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H10O7S/c6-1-2-3(7)4(8)5(12-2)13(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3-,4-,5?/m1/s1
InChIKeyPCUBKGPIVCHCRG-SOOFDHNKSA-N
XLogP-2.69
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-2.69
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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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid?
The IUPAC name of (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid (CID 22848230) is (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid.
What is the SMILES notation for (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid?
The canonical SMILES for (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid is O=S(=O)(O)C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid?
The InChIKey is PCUBKGPIVCHCRG-SOOFDHNKSA-N. The full InChI is InChI=1S/C5H10O7S/c6-1-2-3(7)4(8)5(12-2)13(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3-,4-,5?/m1/s1.
What are the key properties of (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid?
(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid has a molecular weight of 214.19 g/mol, XLogP of -2.69, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-sulfonic acid is sourced from PubChem (CID 22848230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).