disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate

C12H14Na2O8P2+2 — CID 71431251

IUPACdisodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate
SMILESO.O.O=[P+]([O-])Oc1ccccc1.O=[P+]([O-])Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/2C6H5O3P.2Na.2H2O/c2*7-10(8)9-6-4-2-1-3-5-6;;;;/h2*1-5H;;;2*1H2/q;;2*+1;;
InChIKeyDYWCEYGWHNSUGB-UHFFFAOYSA-N
MW394.16 g/mol
LogP-5.48
Rot. Bonds4

About disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate

disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate (PubChem CID 71431251) has the molecular formula C12H14Na2O8P2+2 and a molecular weight of 394.16 g/mol. Its IUPAC name is disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate.

Molecular Properties

Compound Namedisodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate
PubChem CID71431251
Molecular FormulaC12H14Na2O8P2+2
Molecular Weight394.16 g/mol
Exact Mass393.99
IUPAC Namedisodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate
SMILESO.O.O=[P+]([O-])Oc1ccccc1.O=[P+]([O-])Oc1ccccc1.[Na+].[Na+]
InChIInChI=1S/2C6H5O3P.2Na.2H2O/c2*7-10(8)9-6-4-2-1-3-5-6;;;;/h2*1-5H;;;2*1H2/q;;2*+1;;
InChIKeyDYWCEYGWHNSUGB-UHFFFAOYSA-N
XLogP-5.48
TPSA161.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.16
LogP ≤ 5-5.48
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-phenoxyphosphanium);dihydrate?
The IUPAC name of disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate (CID 71431251) is disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate.
What is the SMILES notation for disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate?
The canonical SMILES for disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate is O.O.O=[P+]([O-])Oc1ccccc1.O=[P+]([O-])Oc1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate?
The InChIKey is DYWCEYGWHNSUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5O3P.2Na.2H2O/c2*7-10(8)9-6-4-2-1-3-5-6;;;;/h2*1-5H;;;2*1H2/q;;2*+1;;.
What are the key properties of disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate?
disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate has a molecular weight of 394.16 g/mol, XLogP of -5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate is sourced from PubChem (CID 71431251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).