3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+)

C34H35ClN4O3Pd — CID 59064350

About 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+)

3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+) (PubChem CID 59064350) has the molecular formula C34H35ClN4O3Pd and a molecular weight of 689.55 g/mol. Its IUPAC name is 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+).

Molecular Properties

• Compound Name: 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+)
• PubChem CID: 59064350
• Molecular Formula: C34H35ClN4O3Pd
• Molecular Weight: 689.55 g/mol
• Exact Mass: 688.14
• IUPAC Name: 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+)
• SMILES: CC[C@H]1c2cc3[n-]c4c(c3C)C(=O)[C@H](C)c4c3nc(cc4[n-]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)Cl.[Pd+2]
• InChI: InChI=1S/C34H36ClN4O3.Pd/c1-8-20-14(2)22-13-27-29(19(7)40)16(4)24(37-27)11-23-15(3)21(9-10-28(35)41)32(38-23)30-18(6)34(42)31-17(5)25(39-33(30)31)12-26(20)36-22;/h11-15,18,20-21H,8-10H2,1-7H3,(H-,36,37,38,39,40,42);/q-1;+2/p-1/t14-,15+,18-,20-,21+;/m1./s1
• InChIKey: QZNAOYOTTNOYHE-BFZLZSEJSA-M
• XLogP: 7.42
• TPSA: 105.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.55
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+)?

The IUPAC name of 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+) (CID 59064350) is 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+).

What is the SMILES notation for 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+)?

The canonical SMILES for 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+) is CC[C@H]1c2cc3[n-]c4c(c3C)C(=O)[C@H](C)c4c3nc(cc4[n-]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)Cl.[Pd+2].

What is the InChIKey of 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+)?

The InChIKey is QZNAOYOTTNOYHE-BFZLZSEJSA-M. The full InChI is InChI=1S/C34H36ClN4O3.Pd/c1-8-20-14(2)22-13-27-29(19(7)40)16(4)24(37-27)11-23-15(3)21(9-10-28(35)41)32(38-23)30-18(6)34(42)31-17(5)25(39-33(30)31)12-26(20)36-22;/h11-15,18,20-21H,8-10H2,1-7H3,(H-,36,37,38,39,40,42);/q-1;+2/p-1/t14-,15+,18-,20-,21+;/m1./s1.

What are the key properties of 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+)?

3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+) has a molecular weight of 689.55 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3,12,17,21,26-pentamethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoyl chloride;palladium(2+) is sourced from PubChem (CID 59064350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).