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 |
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| PubChem CID | 159865353 |
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| Molecular Formula | C20H44N6O14S2 |
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| Molecular Weight | 656.73 g/mol |
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| Exact Mass | 656.24 |
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| IUPAC Name | 1-azido-2-[2-(2-azidoethoxy)ethoxy]ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate |
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| SMILES | CS(=O)(=O)OCCOCCOCCOS(C)(=O)=O.OCCOCCOCCO.[N-]=[N+]=NCCOCCOCCN=[N+]=[N-] |
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| 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 |
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| InChIKey | NRQWVBDZBNKLHD-UHFFFAOYSA-N |
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| XLogP | -0.38 |
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| TPSA | 280.10 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 27 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| 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'} |
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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).