6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol

C14H30N4O8 — CID 118569767

About 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol

6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol (PubChem CID 118569767) has the molecular formula C14H30N4O8 and a molecular weight of 382.41 g/mol. Its IUPAC name is 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol
• PubChem CID: 118569767
• Molecular Formula: C14H30N4O8
• Molecular Weight: 382.41 g/mol
• Exact Mass: 382.21
• IUPAC Name: 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol
• SMILES: [N-]=[N+]=NCCOCCOCCOCCNCC(O)C(O)C(O)C(O)CO
• InChI: InChI=1S/C14H30N4O8/c15-18-17-2-4-25-6-8-26-7-5-24-3-1-16-9-11(20)13(22)14(23)12(21)10-19/h11-14,16,19-23H,1-10H2
• InChIKey: SAJLPFFLGGJGMU-UHFFFAOYSA-N
• XLogP: -2.63
• TPSA: 189.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.41
LogP ≤ 5	-2.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol?

The IUPAC name of 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol (CID 118569767) is 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol.

What is the SMILES notation for 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol?

The canonical SMILES for 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol is [N-]=[N+]=NCCOCCOCCOCCNCC(O)C(O)C(O)C(O)CO.

What is the InChIKey of 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol?

The InChIKey is SAJLPFFLGGJGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O8/c15-18-17-2-4-25-6-8-26-7-5-24-3-1-16-9-11(20)13(22)14(23)12(21)10-19/h11-14,16,19-23H,1-10H2.

What are the key properties of 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol?

6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol has a molecular weight of 382.41 g/mol, XLogP of -2.63, 18 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 118569767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).