sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid

C7H16NNaO10S2 — CID 173165634

IUPACsodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid
SMILESO=[N+]([O-])C(CCCS(=O)(=O)OO)CCCS(=O)(=O)OO.[H-].[Na+]
InChIInChI=1S/C7H15NO10S2.Na.H/c9-8(10)7(3-1-5-19(13,14)17-11)4-2-6-20(15,16)18-12;;/h7,11-12H,1-6H2;;/q;+1;-1
InChIKeyFTERBEICDLSZKT-UHFFFAOYSA-N
MW361.33 g/mol
LogP-3.05
Rot. Bonds11

About sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid

sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid (PubChem CID 173165634) has the molecular formula C7H16NNaO10S2 and a molecular weight of 361.33 g/mol. Its IUPAC name is sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid.

Molecular Properties

Compound Namesodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid
PubChem CID173165634
Molecular FormulaC7H16NNaO10S2
Molecular Weight361.33 g/mol
Exact Mass361.01
IUPAC Namesodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid
SMILESO=[N+]([O-])C(CCCS(=O)(=O)OO)CCCS(=O)(=O)OO.[H-].[Na+]
InChIInChI=1S/C7H15NO10S2.Na.H/c9-8(10)7(3-1-5-19(13,14)17-11)4-2-6-20(15,16)18-12;;/h7,11-12H,1-6H2;;/q;+1;-1
InChIKeyFTERBEICDLSZKT-UHFFFAOYSA-N
XLogP-3.05
TPSA170.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 5-3.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid?
The IUPAC name of sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid (CID 173165634) is sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid.
What is the SMILES notation for sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid?
The canonical SMILES for sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid is O=[N+]([O-])C(CCCS(=O)(=O)OO)CCCS(=O)(=O)OO.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid?
The InChIKey is FTERBEICDLSZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO10S2.Na.H/c9-8(10)7(3-1-5-19(13,14)17-11)4-2-6-20(15,16)18-12;;/h7,11-12H,1-6H2;;/q;+1;-1.
What are the key properties of sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid?
sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid has a molecular weight of 361.33 g/mol, XLogP of -3.05, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid is sourced from PubChem (CID 173165634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).