sodium 2,3-dihydroxypropyl sulfite

C3H7NaO5S — CID 174802259

IUPACsodium 2,3-dihydroxypropyl sulfite
SMILESO=S([O-])OCC(O)CO.[Na+]
InChIInChI=1S/C3H8O5S.Na/c4-1-3(5)2-8-9(6)7;/h3-5H,1-2H2,(H,6,7);/q;+1/p-1
InChIKeySUERWUIISFOQHG-UHFFFAOYSA-M
MW178.14 g/mol
LogP-4.85
Rot. Bonds4

About sodium 2,3-dihydroxypropyl sulfite

sodium 2,3-dihydroxypropyl sulfite (PubChem CID 174802259) has the molecular formula C3H7NaO5S and a molecular weight of 178.14 g/mol. Its IUPAC name is sodium 2,3-dihydroxypropyl sulfite.

Molecular Properties

Compound Namesodium 2,3-dihydroxypropyl sulfite
PubChem CID174802259
Molecular FormulaC3H7NaO5S
Molecular Weight178.14 g/mol
Exact Mass177.99
IUPAC Namesodium 2,3-dihydroxypropyl sulfite
SMILESO=S([O-])OCC(O)CO.[Na+]
InChIInChI=1S/C3H8O5S.Na/c4-1-3(5)2-8-9(6)7;/h3-5H,1-2H2,(H,6,7);/q;+1/p-1
InChIKeySUERWUIISFOQHG-UHFFFAOYSA-M
XLogP-4.85
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-4.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;(3-chloro-2-hydroxypropyl) sulfite;hydride
CID 174353627
(3-bromo-2-hydroxypropyl) sulfite
CID 57036020
disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685
sodium 2,3-dihydroxypropyl carbonate
CID 174410448
potassium;sodium;3-oxidooxypropane-1,2-diol;chloride
CID 173283069
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate
CID 23617466
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
potassium 2,3-dihydroxypropyl carbonate
CID 174435109
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
1,2-dihydroxy-3-[methyl(sulfinato)amino]propane
CID 91491359
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909

Frequently Asked Questions

What is the IUPAC name of sodium 2,3-dihydroxypropyl sulfite?
The IUPAC name of sodium 2,3-dihydroxypropyl sulfite (CID 174802259) is sodium 2,3-dihydroxypropyl sulfite.
What is the SMILES notation for sodium 2,3-dihydroxypropyl sulfite?
The canonical SMILES for sodium 2,3-dihydroxypropyl sulfite is O=S([O-])OCC(O)CO.[Na+].
What is the InChIKey of sodium 2,3-dihydroxypropyl sulfite?
The InChIKey is SUERWUIISFOQHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O5S.Na/c4-1-3(5)2-8-9(6)7;/h3-5H,1-2H2,(H,6,7);/q;+1/p-1.
What are the key properties of sodium 2,3-dihydroxypropyl sulfite?
sodium 2,3-dihydroxypropyl sulfite has a molecular weight of 178.14 g/mol, XLogP of -4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,3-dihydroxypropyl sulfite is sourced from PubChem (CID 174802259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).