methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+)

C42H55N7O6Pd — CID 59688263

About methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+)

methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+) (PubChem CID 59688263) has the molecular formula C42H55N7O6Pd and a molecular weight of 860.36 g/mol. Its IUPAC name is methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+).

Molecular Properties

• Compound Name: methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+)
• PubChem CID: 59688263
• Molecular Formula: C42H55N7O6Pd
• Molecular Weight: 860.36 g/mol
• Exact Mass: 859.32
• IUPAC Name: methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;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)NCCCO)c(C(=O)NCCN(C)C)c3C.[Pd+2]
• InChI: InChI=1S/C42H57N7O6.Pd/c1-10-27-22(2)30-21-35-38(26(6)51)24(4)32(46-35)19-31-23(3)28(12-13-36(52)43-14-11-17-50)40(47-31)29(18-37(53)55-9)41-39(42(54)44-15-16-49(7)8)25(5)33(48-41)20-34(27)45-30;/h19-23,27-28,50H,10-18H2,1-9H3,(H4,43,44,45,46,47,48,51,52,54);/q;+2/p-2/t22-,23+,27-,28+;/m1./s1
• InChIKey: CKXDIXJZZUIATB-XNHVRMRBSA-L
• XLogP: 4.86
• TPSA: 179.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	860.36
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+)?

The IUPAC name of methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+) (CID 59688263) is methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+).

What is the SMILES notation for methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+)?

The canonical SMILES for methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;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)NCCCO)c(C(=O)NCCN(C)C)c3C.[Pd+2].

What is the InChIKey of methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+)?

The InChIKey is CKXDIXJZZUIATB-XNHVRMRBSA-L. The full InChI is InChI=1S/C42H57N7O6.Pd/c1-10-27-22(2)30-21-35-38(26(6)51)24(4)32(46-35)19-31-23(3)28(12-13-36(52)43-14-11-17-50)40(47-31)29(18-37(53)55-9)41-39(42(54)44-15-16-49(7)8)25(5)33(48-41)20-34(27)45-30;/h19-23,27-28,50H,10-18H2,1-9H3,(H4,43,44,45,46,47,48,51,52,54);/q;+2/p-2/t22-,23+,27-,28+;/m1./s1.

What are the key properties of methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+)?

methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+) has a molecular weight of 860.36 g/mol, XLogP of 4.86, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-[2-(dimethylamino)ethylcarbamoyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13-tetrahydroporphyrin-22,24-diid-5-yl]acetate;palladium(2+) is sourced from PubChem (CID 59688263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).