2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+)

C45H64N8O5Pd+2 — CID 59688295

About 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+)

2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+) (PubChem CID 59688295) has the molecular formula C45H64N8O5Pd+2 and a molecular weight of 903.48 g/mol. Its IUPAC name is 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+).

Molecular Properties

• Compound Name: 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+)
• PubChem CID: 59688295
• Molecular Formula: C45H64N8O5Pd+2
• Molecular Weight: 903.48 g/mol
• Exact Mass: 902.40
• IUPAC Name: 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+)
• SMILES: CC[C@H]1c2cc3[n-]c(c(CC(=O)OC)c4nc(cc5[n-]c(cc(n2)[C@@H]1C)c(C(C)=O)c5C)[C@@H](C)[C@@H]4CCC(=O)NCC[N+](C)(C)C)c(C(=O)NCC[N+](C)(C)C)c3C.[Pd+2]
• InChI: InChI=1S/C45H64N8O5.Pd/c1-14-30-25(2)33-24-38-41(29(6)54)27(4)35(49-38)22-34-26(3)31(15-16-39(55)46-17-19-52(7,8)9)43(50-34)32(21-40(56)58-13)44-42(45(57)47-18-20-53(10,11)12)28(5)36(51-44)23-37(30)48-33;/h22-26,30-31H,14-21H2,1-13H3,(H2-2,46,47,48,49,50,51,54,55,57);/q;+2/t25-,26+,30-,31+;/m1./s1
• InChIKey: TWZXGJIBPBEIMN-QADRTYFASA-N
• XLogP: 5.33
• TPSA: 155.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.48
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+)?

The IUPAC name of 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+) (CID 59688295) is 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+).

What is the SMILES notation for 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+)?

The canonical SMILES for 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+) is CC[C@H]1c2cc3[n-]c(c(CC(=O)OC)c4nc(cc5[n-]c(cc(n2)[C@@H]1C)c(C(C)=O)c5C)[C@@H](C)[C@@H]4CCC(=O)NCC[N+](C)(C)C)c(C(=O)NCC[N+](C)(C)C)c3C.[Pd+2].

What is the InChIKey of 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+)?

The InChIKey is TWZXGJIBPBEIMN-QADRTYFASA-N. The full InChI is InChI=1S/C45H64N8O5.Pd/c1-14-30-25(2)33-24-38-41(29(6)54)27(4)35(49-38)22-34-26(3)31(15-16-39(55)46-17-19-52(7,8)9)43(50-34)32(21-40(56)58-13)44-42(45(57)47-18-20-53(10,11)12)28(5)36(51-44)23-37(30)48-33;/h22-26,30-31H,14-21H2,1-13H3,(H2-2,46,47,48,49,50,51,54,55,57);/q;+2/t25-,26+,30-,31+;/m1./s1.

What are the key properties of 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+)?

2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+) has a molecular weight of 903.48 g/mol, XLogP of 5.33, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(7R,8R,17S,18S)-12-acetyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethylamino]propyl]-7,8,17,18-tetrahydroporphyrin-21,23-diide-2-carbonyl]amino]ethyl-trimethylazanium;palladium(2+) is sourced from PubChem (CID 59688295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).