zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate

C32H32N4O4Zn — CID 22833754

About zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate

zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate (PubChem CID 22833754) has the molecular formula C32H32N4O4Zn and a molecular weight of 602.02 g/mol. Its IUPAC name is zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate.

Molecular Properties

• Compound Name: zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate
• PubChem CID: 22833754
• Molecular Formula: C32H32N4O4Zn
• Molecular Weight: 602.02 g/mol
• Exact Mass: 600.17
• IUPAC Name: zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate
• SMILES: CCc1c(C)/c2[n-]/c1=C\C1=N/C(=C\C3=N/C(=C\C4=C(C)/C(=C/[O-])C(=N4)/C=2)[C@@H](C)[C@@H]3CCC(=O)OC)C(C=O)=C1C.[Zn+2]
• InChI: InChI=1S/C32H34N4O4.Zn/c1-7-20-16(2)26-12-30-22(14-37)18(4)25(35-30)10-24-17(3)21(8-9-32(39)40-6)29(34-24)13-31-23(15-38)19(5)27(36-31)11-28(20)33-26;/h10-15,17,21H,7-9H2,1-6H3,(H2,33,34,35,36,37,38);/q;+2/p-2/t17-,21-;/m0./s1
• InChIKey: JXFYLEYBGOHWRL-PVMVIUQGSA-L
• XLogP: 2.46
• TPSA: 117.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.02
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate?

The IUPAC name of zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate (CID 22833754) is zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate.

What is the SMILES notation for zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate?

The canonical SMILES for zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate is CCc1c(C)/c2[n-]/c1=C\C1=N/C(=C\C3=N/C(=C\C4=C(C)/C(=C/[O-])C(=N4)/C=2)[C@@H](C)[C@@H]3CCC(=O)OC)C(C=O)=C1C.[Zn+2].

What is the InChIKey of zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate?

The InChIKey is JXFYLEYBGOHWRL-PVMVIUQGSA-L. The full InChI is InChI=1S/C32H34N4O4.Zn/c1-7-20-16(2)26-12-30-22(14-37)18(4)25(35-30)10-24-17(3)21(8-9-32(39)40-6)29(34-24)13-31-23(15-38)19(5)27(36-31)11-28(20)33-26;/h10-15,17,21H,7-9H2,1-6H3,(H2,33,34,35,36,37,38);/q;+2/p-2/t17-,21-;/m0./s1.

What are the key properties of zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate?

zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate has a molecular weight of 602.02 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for zinc (Z)-[(7S,8S)-17-ethyl-12-formyl-8-(3-methoxy-3-oxopropyl)-3,7,13,18-tetramethyl-7,8-dihydroporphyrin-24-id-2-ylidene]methanolate is sourced from PubChem (CID 22833754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).