CID 23340127

C14H14O6P2Pb-4 — CID 23340127

IUPAC—
SMILESO=P([O-])([O-])Cc1ccccc1.O=P([O-])([O-])Cc1ccccc1.[Pb]
InChIInChI=1S/2C7H9O3P.Pb/c2*8-11(9,10)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H2,8,9,10);/p-4
InChIKeyUZTWIOOPJCRLCF-UHFFFAOYSA-J
MW547.41 g/mol
LogP-0.18
Rot. Bonds4

About CID 23340127

CID 23340127 (PubChem CID 23340127) has the molecular formula C14H14O6P2Pb-4 and a molecular weight of 547.41 g/mol.

Molecular Properties

Compound NameCID 23340127
PubChem CID23340127
Molecular FormulaC14H14O6P2Pb-4
Molecular Weight547.41 g/mol
Exact Mass548.01
IUPAC Name—
SMILESO=P([O-])([O-])Cc1ccccc1.O=P([O-])([O-])Cc1ccccc1.[Pb]
InChIInChI=1S/2C7H9O3P.Pb/c2*8-11(9,10)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H2,8,9,10);/p-4
InChIKeyUZTWIOOPJCRLCF-UHFFFAOYSA-J
XLogP-0.18
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.41
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 10612241
benzyl(phenoxy)phosphinic acid
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Frequently Asked Questions

What is the IUPAC name of CID 23340127?
The IUPAC name of CID 23340127 (CID 23340127) is not available.
What is the SMILES notation for CID 23340127?
The canonical SMILES for CID 23340127 is O=P([O-])([O-])Cc1ccccc1.O=P([O-])([O-])Cc1ccccc1.[Pb].
What is the InChIKey of CID 23340127?
The InChIKey is UZTWIOOPJCRLCF-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H9O3P.Pb/c2*8-11(9,10)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H2,8,9,10);/p-4.
What are the key properties of CID 23340127?
CID 23340127 has a molecular weight of 547.41 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23340127 is sourced from PubChem (CID 23340127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).