methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+)

C36H55N5O9OsS — CID 164598792

About methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+)

methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+) (PubChem CID 164598792) has the molecular formula C36H55N5O9OsS and a molecular weight of 924.16 g/mol. Its IUPAC name is methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+).

Molecular Properties

• Compound Name: methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+)
• PubChem CID: 164598792
• Molecular Formula: C36H55N5O9OsS
• Molecular Weight: 924.16 g/mol
• Exact Mass: 925.33
• IUPAC Name: methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+)
• SMILES: [CH2-]CN(CCOCCOCCN(CCOC[CH-]CSCCNC(=O)OC(C)(C)C)Cc1cccc(C(=O)OC)n1)Cc1cccc(C(=O)OC)n1.[Os+2]
• InChI: InChI=1S/C36H55N5O9S.Os/c1-7-40(27-29-11-8-13-31(38-29)33(42)45-5)16-20-48-23-24-49-22-18-41(28-30-12-9-14-32(39-30)34(43)46-6)17-21-47-19-10-25-51-26-15-37-35(44)50-36(2,3)4;/h8-14H,1,7,15-28H2,2-6H3,(H,37,44);/q-2;+2
• InChIKey: PXLLZVTYPGTSBD-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 150.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.16
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+)?

The IUPAC name of methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+) (CID 164598792) is methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+).

What is the SMILES notation for methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+)?

The canonical SMILES for methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+) is [CH2-]CN(CCOCCOCCN(CCOC[CH-]CSCCNC(=O)OC(C)(C)C)Cc1cccc(C(=O)OC)n1)Cc1cccc(C(=O)OC)n1.[Os+2].

What is the InChIKey of methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+)?

The InChIKey is PXLLZVTYPGTSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H55N5O9S.Os/c1-7-40(27-29-11-8-13-31(38-29)33(42)45-5)16-20-48-23-24-49-22-18-41(28-30-12-9-14-32(39-30)34(43)46-6)17-21-47-19-10-25-51-26-15-37-35(44)50-36(2,3)4;/h8-14H,1,7,15-28H2,2-6H3,(H,37,44);/q-2;+2.

What are the key properties of methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+)?

methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+) has a molecular weight of 924.16 g/mol, XLogP of 3.70, 26 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[[ethyl-[2-[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]propoxy]ethyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate;osmium(2+) is sourced from PubChem (CID 164598792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).