disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium)

C2H6Na2O12P4+4 — CID 160652989

IUPACdisodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium)
SMILESC=C.O=[P+]([O-])O[P+](=O)OO.O=[P+]([O-])O[P+](=O)OO.[Na+].[Na+]
InChIInChI=1S/C2H4.2Na.2O6P2/c1-2;;;2*1-5-8(4)6-7(2)3/h1-2H2;;;;/q;2*+1;;/p+2
InChIKeyHVLHYFAMKWHYFB-UHFFFAOYSA-P
MW391.93 g/mol
LogP-4.85
Rot. Bonds6

About disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium)

disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium) (PubChem CID 160652989) has the molecular formula C2H6Na2O12P4+4 and a molecular weight of 391.93 g/mol. Its IUPAC name is disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium).

Molecular Properties

Compound Namedisodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium)
PubChem CID160652989
Molecular FormulaC2H6Na2O12P4+4
Molecular Weight391.93 g/mol
Exact Mass391.86
IUPAC Namedisodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium)
SMILESC=C.O=[P+]([O-])O[P+](=O)OO.O=[P+]([O-])O[P+](=O)OO.[Na+].[Na+]
InChIInChI=1S/C2H4.2Na.2O6P2/c1-2;;;2*1-5-8(4)6-7(2)3/h1-2H2;;;;/q;2*+1;;/p+2
InChIKeyHVLHYFAMKWHYFB-UHFFFAOYSA-P
XLogP-4.85
TPSA191.78 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.93
LogP ≤ 5-4.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium)?
The IUPAC name of disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium) (CID 160652989) is disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium).
What is the SMILES notation for disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium)?
The canonical SMILES for disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium) is C=C.O=[P+]([O-])O[P+](=O)OO.O=[P+]([O-])O[P+](=O)OO.[Na+].[Na+].
What is the InChIKey of disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium)?
The InChIKey is HVLHYFAMKWHYFB-UHFFFAOYSA-P. The full InChI is InChI=1S/C2H4.2Na.2O6P2/c1-2;;;2*1-5-8(4)6-7(2)3/h1-2H2;;;;/q;2*+1;;/p+2.
What are the key properties of disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium)?
disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium) has a molecular weight of 391.93 g/mol, XLogP of -4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethene;bis(hydroperoxy-oxo-phosphooxyphosphanium) is sourced from PubChem (CID 160652989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).