sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide

C19H49N6NaO10S — CID 167609370

About sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide

sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide (PubChem CID 167609370) has the molecular formula C19H49N6NaO10S and a molecular weight of 576.69 g/mol. Its IUPAC name is sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide.

Molecular Properties

• Compound Name: sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide
• PubChem CID: 167609370
• Molecular Formula: C19H49N6NaO10S
• Molecular Weight: 576.69 g/mol
• Exact Mass: 576.31
• IUPAC Name: sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide
• SMILES: C.C.C.COCCOCCN=[N+]=[N-].COCCOCCO.COCCOCCOS(C)(=O)=O.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C6H14O5S.C5H11N3O2.C5H12O3.3CH4.N3.Na/c1-9-3-4-10-5-6-11-12(2,7)8;1-9-4-5-10-3-2-7-8-6;1-7-4-5-8-3-2-6;;;;1-3-2;/h3-6H2,1-2H3;2-5H2,1H3;6H,2-5H2,1H3;3*1H4;;/q;;;;;;-1;+1
• InChIKey: IIKMSNHCPRCCQL-UHFFFAOYSA-N
• XLogP: 0.01
• TPSA: 226.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.69
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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 sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide?

The IUPAC name of sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide (CID 167609370) is sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide.

What is the SMILES notation for sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide?

The canonical SMILES for sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide is C.C.C.COCCOCCN=[N+]=[N-].COCCOCCO.COCCOCCOS(C)(=O)=O.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide?

The InChIKey is IIKMSNHCPRCCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5S.C5H11N3O2.C5H12O3.3CH4.N3.Na/c1-9-3-4-10-5-6-11-12(2,7)8;1-9-4-5-10-3-2-7-8-6;1-7-4-5-8-3-2-6;;;;1-3-2;/h3-6H2,1-2H3;2-5H2,1H3;6H,2-5H2,1H3;3*1H4;;/q;;;;;;-1;+1.

What are the key properties of sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide?

sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide has a molecular weight of 576.69 g/mol, XLogP of 0.01, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-azido-2-(2-methoxyethoxy)ethane;methane;2-(2-methoxyethoxy)ethanol;2-(2-methoxyethoxy)ethyl methanesulfonate;azide is sourced from PubChem (CID 167609370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).