disodium bis(oxido-oxo-phenylmethoxyphosphanium)

C14H14Na2O6P2+2 — CID 171808155

IUPACdisodium bis(oxido-oxo-phenylmethoxyphosphanium)
SMILESO=[P+]([O-])OCc1ccccc1.O=[P+]([O-])OCc1ccccc1.[Na+].[Na+]
InChIInChI=1S/2C7H7O3P.2Na/c2*8-11(9)10-6-7-4-2-1-3-5-7;;/h2*1-5H,6H2;;/q;;2*+1
InChIKeyYDVKYIBCUOVBLZ-UHFFFAOYSA-N
MW386.19 g/mol
LogP-3.55
Rot. Bonds6

About disodium bis(oxido-oxo-phenylmethoxyphosphanium)

disodium bis(oxido-oxo-phenylmethoxyphosphanium) (PubChem CID 171808155) has the molecular formula C14H14Na2O6P2+2 and a molecular weight of 386.19 g/mol. Its IUPAC name is disodium bis(oxido-oxo-phenylmethoxyphosphanium).

Molecular Properties

Compound Namedisodium bis(oxido-oxo-phenylmethoxyphosphanium)
PubChem CID171808155
Molecular FormulaC14H14Na2O6P2+2
Molecular Weight386.19 g/mol
Exact Mass386.01
IUPAC Namedisodium bis(oxido-oxo-phenylmethoxyphosphanium)
SMILESO=[P+]([O-])OCc1ccccc1.O=[P+]([O-])OCc1ccccc1.[Na+].[Na+]
InChIInChI=1S/2C7H7O3P.2Na/c2*8-11(9)10-6-7-4-2-1-3-5-7;;/h2*1-5H,6H2;;/q;;2*+1
InChIKeyYDVKYIBCUOVBLZ-UHFFFAOYSA-N
XLogP-3.55
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 5-3.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium bis(oxido-oxo-phenylmethoxyphosphanium)?
The IUPAC name of disodium bis(oxido-oxo-phenylmethoxyphosphanium) (CID 171808155) is disodium bis(oxido-oxo-phenylmethoxyphosphanium).
What is the SMILES notation for disodium bis(oxido-oxo-phenylmethoxyphosphanium)?
The canonical SMILES for disodium bis(oxido-oxo-phenylmethoxyphosphanium) is O=[P+]([O-])OCc1ccccc1.O=[P+]([O-])OCc1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium bis(oxido-oxo-phenylmethoxyphosphanium)?
The InChIKey is YDVKYIBCUOVBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7O3P.2Na/c2*8-11(9)10-6-7-4-2-1-3-5-7;;/h2*1-5H,6H2;;/q;;2*+1.
What are the key properties of disodium bis(oxido-oxo-phenylmethoxyphosphanium)?
disodium bis(oxido-oxo-phenylmethoxyphosphanium) has a molecular weight of 386.19 g/mol, XLogP of -3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(oxido-oxo-phenylmethoxyphosphanium) is sourced from PubChem (CID 171808155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).