CID 54715072

C28H20O16Pb-4 — CID 54715072

IUPAC—
SMILESO=C(O)c1ccc(O)cc1[O-].O=C(O)c1ccc(O)cc1[O-].O=C(O)c1ccc(O)cc1[O-].O=C(O)c1ccc(O)cc1[O-].[Pb]
InChIInChI=1S/4C7H6O4.Pb/c4*8-4-1-2-5(7(10)11)6(9)3-4;/h4*1-3,8-9H,(H,10,11);/p-4
InChIKeyMJIKRNDYQZFWKE-UHFFFAOYSA-J
MW819.65 g/mol
LogP0.28
Rot. Bonds4

About CID 54715072

CID 54715072 (PubChem CID 54715072) has the molecular formula C28H20O16Pb-4 and a molecular weight of 819.65 g/mol.

Molecular Properties

Compound NameCID 54715072
PubChem CID54715072
Molecular FormulaC28H20O16Pb-4
Molecular Weight819.65 g/mol
Exact Mass820.05
IUPAC Name—
SMILESO=C(O)c1ccc(O)cc1[O-].O=C(O)c1ccc(O)cc1[O-].O=C(O)c1ccc(O)cc1[O-].O=C(O)c1ccc(O)cc1[O-].[Pb]
InChIInChI=1S/4C7H6O4.Pb/c4*8-4-1-2-5(7(10)11)6(9)3-4;/h4*1-3,8-9H,(H,10,11);/p-4
InChIKeyMJIKRNDYQZFWKE-UHFFFAOYSA-J
XLogP0.28
TPSA322.36 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500819.65
LogP ≤ 50.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 54715072?
The IUPAC name of CID 54715072 (CID 54715072) is not available.
What is the SMILES notation for CID 54715072?
The canonical SMILES for CID 54715072 is O=C(O)c1ccc(O)cc1[O-].O=C(O)c1ccc(O)cc1[O-].O=C(O)c1ccc(O)cc1[O-].O=C(O)c1ccc(O)cc1[O-].[Pb].
What is the InChIKey of CID 54715072?
The InChIKey is MJIKRNDYQZFWKE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O4.Pb/c4*8-4-1-2-5(7(10)11)6(9)3-4;/h4*1-3,8-9H,(H,10,11);/p-4.
What are the key properties of CID 54715072?
CID 54715072 has a molecular weight of 819.65 g/mol, XLogP of 0.28, 4 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54715072 is sourced from PubChem (CID 54715072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).