CID 70504885

C6H9Na2O4P — CID 70504885

IUPAC—
SMILESO=P(O)(O)O.[Na].[Na].c1ccccc1
InChIInChI=1S/C6H6.2Na.H3O4P/c1-2-4-6-5-3-1;;;1-5(2,3)4/h1-6H;;;(H3,1,2,3,4)
InChIKeyAFEMMXLADCRCSV-UHFFFAOYSA-N
MW222.09 g/mol
LogP-0.00
Rot. Bonds

About CID 70504885

CID 70504885 (PubChem CID 70504885) has the molecular formula C6H9Na2O4P and a molecular weight of 222.09 g/mol.

Molecular Properties

Compound NameCID 70504885
PubChem CID70504885
Molecular FormulaC6H9Na2O4P
Molecular Weight222.09 g/mol
Exact Mass222.00
IUPAC Name—
SMILESO=P(O)(O)O.[Na].[Na].c1ccccc1
InChIInChI=1S/C6H6.2Na.H3O4P/c1-2-4-6-5-3-1;;;1-5(2,3)4/h1-6H;;;(H3,1,2,3,4)
InChIKeyAFEMMXLADCRCSV-UHFFFAOYSA-N
XLogP-0.00
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 172840180

Frequently Asked Questions

What is the IUPAC name of CID 70504885?
The IUPAC name of CID 70504885 (CID 70504885) is not available.
What is the SMILES notation for CID 70504885?
The canonical SMILES for CID 70504885 is O=P(O)(O)O.[Na].[Na].c1ccccc1.
What is the InChIKey of CID 70504885?
The InChIKey is AFEMMXLADCRCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2Na.H3O4P/c1-2-4-6-5-3-1;;;1-5(2,3)4/h1-6H;;;(H3,1,2,3,4).
What are the key properties of CID 70504885?
CID 70504885 has a molecular weight of 222.09 g/mol, XLogP of -0.00, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70504885 is sourced from PubChem (CID 70504885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).