sodium (3R)-oxolane-3-sulfinate

C4H7NaO3S — CID 155973008

IUPACsodium (3R)-oxolane-3-sulfinate
SMILESO=S([O-])[C@@H]1CCOC1.[Na+]
InChIInChI=1S/C4H8O3S.Na/c5-8(6)4-1-2-7-3-4;/h4H,1-3H2,(H,5,6);/q;+1/p-1/t4-;/m1./s1
InChIKeyIHAPRSZBTHYXPY-PGMHMLKASA-M
MW158.15 g/mol
LogP-3.34
Rot. Bonds1

About sodium (3R)-oxolane-3-sulfinate

sodium (3R)-oxolane-3-sulfinate (PubChem CID 155973008) has the molecular formula C4H7NaO3S and a molecular weight of 158.15 g/mol. Its IUPAC name is sodium (3R)-oxolane-3-sulfinate.

Molecular Properties

Compound Namesodium (3R)-oxolane-3-sulfinate
PubChem CID155973008
Molecular FormulaC4H7NaO3S
Molecular Weight158.15 g/mol
Exact Mass158.00
IUPAC Namesodium (3R)-oxolane-3-sulfinate
SMILESO=S([O-])[C@@H]1CCOC1.[Na+]
InChIInChI=1S/C4H8O3S.Na/c5-8(6)4-1-2-7-3-4;/h4H,1-3H2,(H,5,6);/q;+1/p-1/t4-;/m1./s1
InChIKeyIHAPRSZBTHYXPY-PGMHMLKASA-M
XLogP-3.34
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-3.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclodecanesulfinate
CID 66648160
sodium 5,5-dimethyloxolane-3-sulfinate
CID 165450481
oxirane-2-sulfinate
CID 57440964
5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid
CID 63946565
sodium hydroxy(oxolan-3-yl)methanesulfonate
CID 103574268
ethane;oxolane-3-carbaldehyde
CID 142909173
2-(oxan-4-ylsulfinyl)pentan-3-one
CID 64867402
sodium 3-cyanocyclopentane-1-sulfinate
CID 165453715
sodium oxolan-3-ylmethanesulfonate
CID 23670188
(1R,6R)-3-oxa-7-azabicyclo[4.1.0]heptane
CID 55298686
3-(oxan-3-ylsulfinyl)propan-1-amine
CID 107138204
2-(oxan-4-ylsulfinyl)pentan-3-amine
CID 64655252

Frequently Asked Questions

What is the IUPAC name of sodium (3R)-oxolane-3-sulfinate?
The IUPAC name of sodium (3R)-oxolane-3-sulfinate (CID 155973008) is sodium (3R)-oxolane-3-sulfinate.
What is the SMILES notation for sodium (3R)-oxolane-3-sulfinate?
The canonical SMILES for sodium (3R)-oxolane-3-sulfinate is O=S([O-])[C@@H]1CCOC1.[Na+].
What is the InChIKey of sodium (3R)-oxolane-3-sulfinate?
The InChIKey is IHAPRSZBTHYXPY-PGMHMLKASA-M. The full InChI is InChI=1S/C4H8O3S.Na/c5-8(6)4-1-2-7-3-4;/h4H,1-3H2,(H,5,6);/q;+1/p-1/t4-;/m1./s1.
What are the key properties of sodium (3R)-oxolane-3-sulfinate?
sodium (3R)-oxolane-3-sulfinate has a molecular weight of 158.15 g/mol, XLogP of -3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3R)-oxolane-3-sulfinate is sourced from PubChem (CID 155973008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).