5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold

C20H14AuN4O4 — CID 174692128

IUPAC5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold
SMILESO=C1C(=O)/C2=C(\O)c3ccc([nH]3)/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=C/1N2O.[Au]
InChIInChI=1S/C20H14N4O4.Au/c25-18-15-6-5-13(23-15)8-12-2-1-10(21-12)7-11-3-4-14(22-11)9-16-19(26)20(27)17(18)24(16)28;/h1-9,21-23,25,28H;/b10-7-,12-8-,16-9-,18-17+;
InChIKeyGUXZBNRNMRXWDD-BQTPDZHGSA-N
MW571.32 g/mol
LogP0.75
Rot. Bonds

About 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold

5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold (PubChem CID 174692128) has the molecular formula C20H14AuN4O4 and a molecular weight of 571.32 g/mol. Its IUPAC name is 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold.

Molecular Properties

Compound Name5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold
PubChem CID174692128
Molecular FormulaC20H14AuN4O4
Molecular Weight571.32 g/mol
Exact Mass571.07
IUPAC Name5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold
SMILESO=C1C(=O)/C2=C(\O)c3ccc([nH]3)/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=C/1N2O.[Au]
InChIInChI=1S/C20H14N4O4.Au/c25-18-15-6-5-13(23-15)8-12-2-1-10(21-12)7-11-3-4-14(22-11)9-16-19(26)20(27)17(18)24(16)28;/h1-9,21-23,25,28H;/b10-7-,12-8-,16-9-,18-17+;
InChIKeyGUXZBNRNMRXWDD-BQTPDZHGSA-N
XLogP0.75
TPSA125.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.32
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold?
The IUPAC name of 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold (CID 174692128) is 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold.
What is the SMILES notation for 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold?
The canonical SMILES for 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold is O=C1C(=O)/C2=C(\O)c3ccc([nH]3)/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=C/1N2O.[Au].
What is the InChIKey of 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold?
The InChIKey is GUXZBNRNMRXWDD-BQTPDZHGSA-N. The full InChI is InChI=1S/C20H14N4O4.Au/c25-18-15-6-5-13(23-15)8-12-2-1-10(21-12)7-11-3-4-14(22-11)9-16-19(26)20(27)17(18)24(16)28;/h1-9,21-23,25,28H;/b10-7-,12-8-,16-9-,18-17+;.
What are the key properties of 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold?
5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold has a molecular weight of 571.32 g/mol, XLogP of 0.75, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold is sourced from PubChem (CID 174692128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).