CID 160879707

C108H239K2N10O35 — CID 160879707

About CID 160879707

CID 160879707 (PubChem CID 160879707) has the molecular formula C108H239K2N10O35 and a molecular weight of 2316.33 g/mol.

Molecular Properties

• Compound Name: CID 160879707
• PubChem CID: 160879707
• Molecular Formula: C108H239K2N10O35
• Molecular Weight: 2316.33 g/mol
• Exact Mass: 2314.65
• IUPAC Name: —
• SMILES: C1CO1.CC1(C)OCCN1CCO.CCC(O)COCCN1CCOC1(C)C.CCC(O)COCCNCCO.CCC(O)COCCOCCOCCOCCOCCOCCOCCOC.CCC1CO1.CCC1CO1.CCC1CO1.CN(C)CCCCCCN(C)CCCCCCN(C)C.COCCOCCOCCOCCOCCOCCOCCO.NCCCCCCNCCCCCCN.O.O=CO[O-].OCCNCCO.[K+].[K]
• InChI: InChI=1S/C19H40O9.C17H39N3.C15H32O8.C12H29N3.C11H23NO3.C8H19NO3.C7H15NO2.C4H11NO2.3C4H8O.C2H4O.CH2O3.2K.H2O/c1-3-19(20)18-28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21-2;1-18(2)14-10-6-8-12-16-20(5)17-13-9-7-11-15-19(3)4;1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16;13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;1-4-10(13)9-14-7-5-12-6-8-15-11(12,2)3;1-2-8(11)7-12-6-4-9-3-5-10;1-7(2)8(3-5-9)4-6-10-7;6-3-1-5-2-4-7;3*1-2-4-3-5-4;1-2-3-1;2-1-4-3;;;/h19-20H,3-18H2,1-2H3;6-17H2,1-5H3;16H,2-15H2,1H3;15H,1-14H2;10,13H,4-9H2,1-3H3;8-11H,2-7H2,1H3;9H,3-6H2,1-2H3;5-7H,1-4H2;3*4H,2-3H2,1H3;1-2H2;1,3H;;;1H2/q;;;;;;;;;;;;;;+1;/p-1
• InChIKey: FDWHDENEWYBIKI-UHFFFAOYSA-M
• XLogP: 0.46
• TPSA: 572.52 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 44
• Rotatable Bonds: 94
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2316.33
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 160879707?

The IUPAC name of CID 160879707 (CID 160879707) is not available.

What is the SMILES notation for CID 160879707?

The canonical SMILES for CID 160879707 is C1CO1.CC1(C)OCCN1CCO.CCC(O)COCCN1CCOC1(C)C.CCC(O)COCCNCCO.CCC(O)COCCOCCOCCOCCOCCOCCOCCOC.CCC1CO1.CCC1CO1.CCC1CO1.CN(C)CCCCCCN(C)CCCCCCN(C)C.COCCOCCOCCOCCOCCOCCOCCO.NCCCCCCNCCCCCCN.O.O=CO[O-].OCCNCCO.[K+].[K].

What is the InChIKey of CID 160879707?

The InChIKey is FDWHDENEWYBIKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H40O9.C17H39N3.C15H32O8.C12H29N3.C11H23NO3.C8H19NO3.C7H15NO2.C4H11NO2.3C4H8O.C2H4O.CH2O3.2K.H2O/c1-3-19(20)18-28-17-16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21-2;1-18(2)14-10-6-8-12-16-20(5)17-13-9-7-11-15-19(3)4;1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16;13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;1-4-10(13)9-14-7-5-12-6-8-15-11(12,2)3;1-2-8(11)7-12-6-4-9-3-5-10;1-7(2)8(3-5-9)4-6-10-7;6-3-1-5-2-4-7;3*1-2-4-3-5-4;1-2-3-1;2-1-4-3;;;/h19-20H,3-18H2,1-2H3;6-17H2,1-5H3;16H,2-15H2,1H3;15H,1-14H2;10,13H,4-9H2,1-3H3;8-11H,2-7H2,1H3;9H,3-6H2,1-2H3;5-7H,1-4H2;3*4H,2-3H2,1H3;1-2H2;1,3H;;;1H2/q;;;;;;;;;;;;;;+1;/p-1.

What are the key properties of CID 160879707?

CID 160879707 has a molecular weight of 2316.33 g/mol, XLogP of 0.46, 94 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for CID 160879707 is sourced from PubChem (CID 160879707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).