sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride

C4H11NaO5S — CID 173001274

IUPACsodium;1,4-dihydroxybutane-2-sulfonic acid;hydride
SMILESO=S(=O)(O)C(CO)CCO.[H-].[Na+]
InChIInChI=1S/C4H10O5S.Na.H/c5-2-1-4(3-6)10(7,8)9;;/h4-6H,1-3H2,(H,7,8,9);;/q;+1;-1
InChIKeyZDHXEXMWNOQLQB-UHFFFAOYSA-N
MW194.18 g/mol
LogP-4.27
Rot. Bonds4

About sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride

sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride (PubChem CID 173001274) has the molecular formula C4H11NaO5S and a molecular weight of 194.18 g/mol. Its IUPAC name is sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;1,4-dihydroxybutane-2-sulfonic acid;hydride
PubChem CID173001274
Molecular FormulaC4H11NaO5S
Molecular Weight194.18 g/mol
Exact Mass194.02
IUPAC Namesodium;1,4-dihydroxybutane-2-sulfonic acid;hydride
SMILESO=S(=O)(O)C(CO)CCO.[H-].[Na+]
InChIInChI=1S/C4H10O5S.Na.H/c5-2-1-4(3-6)10(7,8)9;;/h4-6H,1-3H2,(H,7,8,9);;/q;+1;-1
InChIKeyZDHXEXMWNOQLQB-UHFFFAOYSA-N
XLogP-4.27
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-4.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium;1,4-dihydroxybutane-2-sulfonic acid;hydride
CID 173180186
CID 87079016
CID 87079016
1,5-dihydroxy-4-methylpentane-2-sulfonic acid
CID 87342373
2-butylsulfonylbutane-1,4-diol
CID 91622503
(Z)-1-hydroxyicos-11-ene-2-sulfonic acid
CID 87559008
2-hydroxyethane-1,1-disulfonic acid
CID 18781737
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
pentane-1,3,5-trisulfonic acid
CID 89390936
(2R,3S,4S)-2,3,4,6-tetrahydroxyhexane-1-sulfonic acid
CID 166513902
hexasodium;pentane-1,3,5-triol;trisulfate
CID 173024311
tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride
CID 175094997
sodium;hydride;2-hydroxyethanesulfonic acid
CID 173006152

Frequently Asked Questions

What is the IUPAC name of sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride?
The IUPAC name of sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride (CID 173001274) is sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride.
What is the SMILES notation for sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride?
The canonical SMILES for sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride is O=S(=O)(O)C(CO)CCO.[H-].[Na+].
What is the InChIKey of sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride?
The InChIKey is ZDHXEXMWNOQLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5S.Na.H/c5-2-1-4(3-6)10(7,8)9;;/h4-6H,1-3H2,(H,7,8,9);;/q;+1;-1.
What are the key properties of sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride?
sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride has a molecular weight of 194.18 g/mol, XLogP of -4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride is sourced from PubChem (CID 173001274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).