sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate

CH5NaO9S2 — CID 173280994

IUPACsodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
SMILESC=O.O=S(=O)(O)OOS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/CH2O.Na.H2O8S2.H/c1-2;;1-9(2,3)7-8-10(4,5)6;/h1H2;;(H,1,2,3)(H,4,5,6);/q;+1;;-1
InChIKeyJQUGEAOQMSQEOF-UHFFFAOYSA-N
MW248.17 g/mol
LogP-4.53
Rot. Bonds3

About sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate

sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate (PubChem CID 173280994) has the molecular formula CH5NaO9S2 and a molecular weight of 248.17 g/mol. Its IUPAC name is sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate.

Molecular Properties

Compound Namesodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
PubChem CID173280994
Molecular FormulaCH5NaO9S2
Molecular Weight248.17 g/mol
Exact Mass247.93
IUPAC Namesodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
SMILESC=O.O=S(=O)(O)OOS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/CH2O.Na.H2O8S2.H/c1-2;;1-9(2,3)7-8-10(4,5)6;/h1H2;;(H,1,2,3)(H,4,5,6);/q;+1;;-1
InChIKeyJQUGEAOQMSQEOF-UHFFFAOYSA-N
XLogP-4.53
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 5-4.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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;sulfooxy hydrogen sulfate
CID 175284935
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891
sulfooxy hydrogen sulfate
CID 24413
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
sodium;formaldehyde;hydride;hydroxy hydrogen sulfate
CID 173280993
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
hydrogen sulfate;iron(3+);sulfooxy hydrogen sulfate
CID 19609642
prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 174946242
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
azane;prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 175090513
CID 175199933
CID 175199933
azane;sulfooxy hydrogen sulfate;thiourea
CID 175196576

Frequently Asked Questions

What is the IUPAC name of sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate?
The IUPAC name of sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate (CID 173280994) is sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate.
What is the SMILES notation for sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate?
The canonical SMILES for sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate is C=O.O=S(=O)(O)OOS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate?
The InChIKey is JQUGEAOQMSQEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O.Na.H2O8S2.H/c1-2;;1-9(2,3)7-8-10(4,5)6;/h1H2;;(H,1,2,3)(H,4,5,6);/q;+1;;-1.
What are the key properties of sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate?
sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate has a molecular weight of 248.17 g/mol, XLogP of -4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate is sourced from PubChem (CID 173280994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).