CID 22564413

H24Na2O18P2 — CID 22564413

IUPAC—
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P(=O)[O-].O=P(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2Na.2HO3P.12H2O/c;;2*1-4(2)3;;;;;;;;;;;;/h;;2*(H,1,2,3);12*1H2/q2*+1;;;;;;;;;;;;;;/p-2
InChIKeyZDBNTOHSEGBPAZ-UHFFFAOYSA-L
MW420.10 g/mol
LogP-17.02
Rot. Bonds

About CID 22564413

CID 22564413 (PubChem CID 22564413) has the molecular formula H24Na2O18P2 and a molecular weight of 420.10 g/mol.

Molecular Properties

Compound NameCID 22564413
PubChem CID22564413
Molecular FormulaH24Na2O18P2
Molecular Weight420.10 g/mol
Exact Mass420.02
IUPAC Name—
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P(=O)[O-].O=P(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2Na.2HO3P.12H2O/c;;2*1-4(2)3;;;;;;;;;;;;/h;;2*(H,1,2,3);12*1H2/q2*+1;;;;;;;;;;;;;;/p-2
InChIKeyZDBNTOHSEGBPAZ-UHFFFAOYSA-L
XLogP-17.02
TPSA492.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.10
LogP ≤ 5-17.02
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 CID 22564413?
The IUPAC name of CID 22564413 (CID 22564413) is not available.
What is the SMILES notation for CID 22564413?
The canonical SMILES for CID 22564413 is O.O.O.O.O.O.O.O.O.O.O.O.O=P(=O)[O-].O=P(=O)[O-].[Na+].[Na+].
What is the InChIKey of CID 22564413?
The InChIKey is ZDBNTOHSEGBPAZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.2HO3P.12H2O/c;;2*1-4(2)3;;;;;;;;;;;;/h;;2*(H,1,2,3);12*1H2/q2*+1;;;;;;;;;;;;;;/p-2.
What are the key properties of CID 22564413?
CID 22564413 has a molecular weight of 420.10 g/mol, XLogP of -17.02, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22564413 is sourced from PubChem (CID 22564413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).