1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate

C20H44N6O14S2 — CID 159865353

About 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate

1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate (PubChem CID 159865353) has the molecular formula C20H44N6O14S2 and a molecular weight of 656.73 g/mol. Its IUPAC name is 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate.

Molecular Properties

• Compound Name: 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate
• PubChem CID: 159865353
• Molecular Formula: C20H44N6O14S2
• Molecular Weight: 656.73 g/mol
• Exact Mass: 656.24
• IUPAC Name: 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate
• SMILES: CS(=O)(=O)OCCOCCOCCOS(C)(=O)=O.OCCOCCOCCO.[N-]=[N+]=NCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C8H18O8S2.C6H12N6O2.C6H14O4/c1-17(9,10)15-7-5-13-3-4-14-6-8-16-18(2,11)12;7-11-9-1-3-13-5-6-14-4-2-10-12-8;7-1-3-9-5-6-10-4-2-8/h3-8H2,1-2H3;1-6H2;7-8H,1-6H2
• InChIKey: NRQWVBDZBNKLHD-UHFFFAOYSA-N
• XLogP: -0.38
• TPSA: 280.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 27
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.73
LogP ≤ 5	-0.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate?

The IUPAC name of 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate (CID 159865353) is 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate.

What is the SMILES notation for 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate?

The canonical SMILES for 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate is CS(=O)(=O)OCCOCCOCCOS(C)(=O)=O.OCCOCCOCCO.[N-]=[N+]=NCCOCCOCCN=[N+]=[N-].

What is the InChIKey of 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate?

The InChIKey is NRQWVBDZBNKLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O8S2.C6H12N6O2.C6H14O4/c1-17(9,10)15-7-5-13-3-4-14-6-8-16-18(2,11)12;7-11-9-1-3-13-5-6-14-4-2-10-12-8;7-1-3-9-5-6-10-4-2-8/h3-8H2,1-2H3;1-6H2;7-8H,1-6H2.

What are the key properties of 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate?

1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate has a molecular weight of 656.73 g/mol, XLogP of -0.38, 27 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 159865353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).