tetrasodium;tetrakis(1H-pyrrole-2-carboxylate)

C20H16N4Na4O8 — CID 140523625

IUPACtetrasodium;tetrakis(1H-pyrrole-2-carboxylate)
SMILESO=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C5H5NO2.4Na/c4*7-5(8)4-2-1-3-6-4;;;;/h4*1-3,6H,(H,7,8);;;;/q;;;;4*+1/p-4
InChIKeyMEOYKHZUUWDCRU-UHFFFAOYSA-J
MW532.33 g/mol
LogP-14.47
Rot. Bonds4

About tetrasodium;tetrakis(1H-pyrrole-2-carboxylate)

tetrasodium;tetrakis(1H-pyrrole-2-carboxylate) (PubChem CID 140523625) has the molecular formula C20H16N4Na4O8 and a molecular weight of 532.33 g/mol. Its IUPAC name is tetrasodium;tetrakis(1H-pyrrole-2-carboxylate).

Molecular Properties

Compound Nametetrasodium;tetrakis(1H-pyrrole-2-carboxylate)
PubChem CID140523625
Molecular FormulaC20H16N4Na4O8
Molecular Weight532.33 g/mol
Exact Mass532.06
IUPAC Nametetrasodium;tetrakis(1H-pyrrole-2-carboxylate)
SMILESO=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C5H5NO2.4Na/c4*7-5(8)4-2-1-3-6-4;;;;/h4*1-3,6H,(H,7,8);;;;/q;;;;4*+1/p-4
InChIKeyMEOYKHZUUWDCRU-UHFFFAOYSA-J
XLogP-14.47
TPSA223.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.33
LogP ≤ 5-14.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrasodium;tetrakis(1H-pyrrole-2-carboxylate)?
The IUPAC name of tetrasodium;tetrakis(1H-pyrrole-2-carboxylate) (CID 140523625) is tetrasodium;tetrakis(1H-pyrrole-2-carboxylate).
What is the SMILES notation for tetrasodium;tetrakis(1H-pyrrole-2-carboxylate)?
The canonical SMILES for tetrasodium;tetrakis(1H-pyrrole-2-carboxylate) is O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.O=C([O-])c1ccc[nH]1.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;tetrakis(1H-pyrrole-2-carboxylate)?
The InChIKey is MEOYKHZUUWDCRU-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H5NO2.4Na/c4*7-5(8)4-2-1-3-6-4;;;;/h4*1-3,6H,(H,7,8);;;;/q;;;;4*+1/p-4.
What are the key properties of tetrasodium;tetrakis(1H-pyrrole-2-carboxylate)?
tetrasodium;tetrakis(1H-pyrrole-2-carboxylate) has a molecular weight of 532.33 g/mol, XLogP of -14.47, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;tetrakis(1H-pyrrole-2-carboxylate) is sourced from PubChem (CID 140523625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).