(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide

C18H34N8O10 — CID 129158118

About (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide

(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide (PubChem CID 129158118) has the molecular formula C18H34N8O10 and a molecular weight of 522.52 g/mol. Its IUPAC name is (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide.

Molecular Properties

• Compound Name: (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
• PubChem CID: 129158118
• Molecular Formula: C18H34N8O10
• Molecular Weight: 522.52 g/mol
• Exact Mass: 522.24
• IUPAC Name: (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
• SMILES: [N-]=[N+]=NCCOCCOCCNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C18H34N8O10/c19-25-23-3-7-35-11-9-33-5-1-21-17(31)15(29)13(27)14(28)16(30)18(32)22-2-6-34-10-12-36-8-4-24-26-20/h13-16,27-30H,1-12H2,(H,21,31)(H,22,32)/t13-,14+,15+,16-
• InChIKey: FXPRFUZWJMKUHP-SYMSYNOKSA-N
• XLogP: -2.65
• TPSA: 273.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	522.52
LogP ≤ 5	-2.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

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 (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide?

The IUPAC name of (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide (CID 129158118) is (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide.

What is the SMILES notation for (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide?

The canonical SMILES for (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide is [N-]=[N+]=NCCOCCOCCNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCN=[N+]=[N-].

What is the InChIKey of (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide?

The InChIKey is FXPRFUZWJMKUHP-SYMSYNOKSA-N. The full InChI is InChI=1S/C18H34N8O10/c19-25-23-3-7-35-11-9-33-5-1-21-17(31)15(29)13(27)14(28)16(30)18(32)22-2-6-34-10-12-36-8-4-24-26-20/h13-16,27-30H,1-12H2,(H,21,31)(H,22,32)/t13-,14+,15+,16-.

What are the key properties of (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide?

(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide has a molecular weight of 522.52 g/mol, XLogP of -2.65, 23 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide is sourced from PubChem (CID 129158118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).