sodium;formaldehyde;hydride;hydroxy hydrogen sulfate

CH5NaO6S — CID 173280993

IUPACsodium;formaldehyde;hydride;hydroxy hydrogen sulfate
SMILESC=O.O=S(=O)(O)OO.[H-].[Na+]
InChIInChI=1S/CH2O.Na.H2O5S.H/c1-2;;1-5-6(2,3)4;/h1H2;;1H,(H,2,3,4);/q;+1;;-1
InChIKeyAUUJEDLPBBLLAZ-UHFFFAOYSA-N
MW168.10 g/mol
LogP-3.79
Rot. Bonds1

About sodium;formaldehyde;hydride;hydroxy hydrogen sulfate

sodium;formaldehyde;hydride;hydroxy hydrogen sulfate (PubChem CID 173280993) has the molecular formula CH5NaO6S and a molecular weight of 168.10 g/mol. Its IUPAC name is sodium;formaldehyde;hydride;hydroxy hydrogen sulfate.

Molecular Properties

Compound Namesodium;formaldehyde;hydride;hydroxy hydrogen sulfate
PubChem CID173280993
Molecular FormulaCH5NaO6S
Molecular Weight168.10 g/mol
Exact Mass167.97
IUPAC Namesodium;formaldehyde;hydride;hydroxy hydrogen sulfate
SMILESC=O.O=S(=O)(O)OO.[H-].[Na+]
InChIInChI=1S/CH2O.Na.H2O5S.H/c1-2;;1-5-6(2,3)4;/h1H2;;1H,(H,2,3,4);/q;+1;;-1
InChIKeyAUUJEDLPBBLLAZ-UHFFFAOYSA-N
XLogP-3.79
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.10
LogP ≤ 5-3.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium;hydride;hydroxy hydrogen sulfate;selane
CID 174900610
sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
CID 173280994
hydrogen peroxide;hydroxy hydrogen sulfate;hydrate
CID 158756435
hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid
CID 158735820
azane;hydrogen peroxide;hydroxy hydrogen sulfate
CID 173220225
azane;hydroxy hydrogen sulfate;2-methylprop-1-ene
CID 174737556
sodium;hydride;hydrogen peroxide;hydroxy sulfo sulfate
CID 173090604
hydroxy hydrogen sulfate;penta-1,4-diene
CID 174393320
CID 174544732
CID 174544732
disodium;hydride;sulfuric acid
CID 173215682
disodium;hydride;sulfuric acid
CID 173031766
sodium;hydride;sulfuric acid;yttrium
CID 175345231

Frequently Asked Questions

What is the IUPAC name of sodium;formaldehyde;hydride;hydroxy hydrogen sulfate?
The IUPAC name of sodium;formaldehyde;hydride;hydroxy hydrogen sulfate (CID 173280993) is sodium;formaldehyde;hydride;hydroxy hydrogen sulfate.
What is the SMILES notation for sodium;formaldehyde;hydride;hydroxy hydrogen sulfate?
The canonical SMILES for sodium;formaldehyde;hydride;hydroxy hydrogen sulfate is C=O.O=S(=O)(O)OO.[H-].[Na+].
What is the InChIKey of sodium;formaldehyde;hydride;hydroxy hydrogen sulfate?
The InChIKey is AUUJEDLPBBLLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O.Na.H2O5S.H/c1-2;;1-5-6(2,3)4;/h1H2;;1H,(H,2,3,4);/q;+1;;-1.
What are the key properties of sodium;formaldehyde;hydride;hydroxy hydrogen sulfate?
sodium;formaldehyde;hydride;hydroxy hydrogen sulfate has a molecular weight of 168.10 g/mol, XLogP of -3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formaldehyde;hydride;hydroxy hydrogen sulfate is sourced from PubChem (CID 173280993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).