heptasodium;carbonoperoxoic acid;hydride

C13H33Na7O52 — CID 173320073

IUPACheptasodium;carbonoperoxoic acid;hydride
SMILESO=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/13CH2O4.7Na.7H/c13*2-1(3)5-4;;;;;;;;;;;;;;/h13*4H,(H,2,3);;;;;;;;;;;;;;/q;;;;;;;;;;;;;7*+1;7*-1
InChIKeyLZMMJFHKQPPXRW-UHFFFAOYSA-N
MW1182.29 g/mol
LogP-18.18
Rot. Bonds

About heptasodium;carbonoperoxoic acid;hydride

heptasodium;carbonoperoxoic acid;hydride (PubChem CID 173320073) has the molecular formula C13H33Na7O52 and a molecular weight of 1182.29 g/mol. Its IUPAC name is heptasodium;carbonoperoxoic acid;hydride.

Molecular Properties

Compound Nameheptasodium;carbonoperoxoic acid;hydride
PubChem CID173320073
Molecular FormulaC13H33Na7O52
Molecular Weight1182.29 g/mol
Exact Mass1181.92
IUPAC Nameheptasodium;carbonoperoxoic acid;hydride
SMILESO=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/13CH2O4.7Na.7H/c13*2-1(3)5-4;;;;;;;;;;;;;;/h13*4H,(H,2,3);;;;;;;;;;;;;;/q;;;;;;;;;;;;;7*+1;7*-1
InChIKeyLZMMJFHKQPPXRW-UHFFFAOYSA-N
XLogP-18.18
TPSA867.88 Ų
H-Bond Donors26
H-Bond Acceptors39
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001182.29
LogP ≤ 5-18.18
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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 heptasodium;carbonoperoxoic acid;hydride?
The IUPAC name of heptasodium;carbonoperoxoic acid;hydride (CID 173320073) is heptasodium;carbonoperoxoic acid;hydride.
What is the SMILES notation for heptasodium;carbonoperoxoic acid;hydride?
The canonical SMILES for heptasodium;carbonoperoxoic acid;hydride is O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of heptasodium;carbonoperoxoic acid;hydride?
The InChIKey is LZMMJFHKQPPXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/13CH2O4.7Na.7H/c13*2-1(3)5-4;;;;;;;;;;;;;;/h13*4H,(H,2,3);;;;;;;;;;;;;;/q;;;;;;;;;;;;;7*+1;7*-1.
What are the key properties of heptasodium;carbonoperoxoic acid;hydride?
heptasodium;carbonoperoxoic acid;hydride has a molecular weight of 1182.29 g/mol, XLogP of -18.18, 0 rotatable bonds, 26 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for heptasodium;carbonoperoxoic acid;hydride is sourced from PubChem (CID 173320073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).