CID 19688890

O12P4Zr — CID 19688890

IUPAC—
SMILESO=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].[Zr+4]
InChIInChI=1S/4HO3P.Zr/c4*1-4(2)3;/h4*(H,1,2,3);/q;;;;+4/p-4
InChIKeyJWFBVAIBKMSUJE-UHFFFAOYSA-J
MW407.11 g/mol
LogP-2.26
Rot. Bonds

About CID 19688890

CID 19688890 (PubChem CID 19688890) has the molecular formula O12P4Zr and a molecular weight of 407.11 g/mol.

Molecular Properties

Compound NameCID 19688890
PubChem CID19688890
Molecular FormulaO12P4Zr
Molecular Weight407.11 g/mol
Exact Mass405.74
IUPAC Name—
SMILESO=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].[Zr+4]
InChIInChI=1S/4HO3P.Zr/c4*1-4(2)3;/h4*(H,1,2,3);/q;;;;+4/p-4
InChIKeyJWFBVAIBKMSUJE-UHFFFAOYSA-J
XLogP-2.26
TPSA228.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.11
LogP ≤ 5-2.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 19688890?
The IUPAC name of CID 19688890 (CID 19688890) is not available.
What is the SMILES notation for CID 19688890?
The canonical SMILES for CID 19688890 is O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].O=P(=O)[O-].[Zr+4].
What is the InChIKey of CID 19688890?
The InChIKey is JWFBVAIBKMSUJE-UHFFFAOYSA-J. The full InChI is InChI=1S/4HO3P.Zr/c4*1-4(2)3;/h4*(H,1,2,3);/q;;;;+4/p-4.
What are the key properties of CID 19688890?
CID 19688890 has a molecular weight of 407.11 g/mol, XLogP of -2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19688890 is sourced from PubChem (CID 19688890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).