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

C14H30N4O9 — CID 144974159

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

(2R,3S,4R,5R)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5,6-hexol (PubChem CID 144974159) has the molecular formula C14H30N4O9 and a molecular weight of 398.41 g/mol. Its IUPAC name is (2R,3S,4R,5R)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5,6-hexol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5,6-hexol
• PubChem CID: 144974159
• Molecular Formula: C14H30N4O9
• Molecular Weight: 398.41 g/mol
• Exact Mass: 398.20
• IUPAC Name: (2R,3S,4R,5R)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5,6-hexol
• SMILES: [N-]=[N+]=NCCOCCOCCOCCNC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C14H30N4O9/c15-18-17-2-4-26-6-8-27-7-5-25-3-1-16-14(24)13(23)12(22)11(21)10(20)9-19/h10-14,16,19-24H,1-9H2/t10-,11-,12+,13-,14?/m1/s1
• InChIKey: RAOZLEABMMRMAR-RQICVUQASA-N
• XLogP: -3.31
• TPSA: 209.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	398.41
LogP ≤ 5	-3.31
H-Bond Donors ≤ 5	7
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2R,3S,4R,5R)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5,6-hexol (CID 144974159) is (2R,3S,4R,5R)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5,6-hexol.

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

The canonical SMILES for (2R,3S,4R,5R)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5,6-hexol is [N-]=[N+]=NCCOCCOCCOCCNC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.

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

The InChIKey is RAOZLEABMMRMAR-RQICVUQASA-N. The full InChI is InChI=1S/C14H30N4O9/c15-18-17-2-4-26-6-8-27-7-5-25-3-1-16-14(24)13(23)12(22)11(21)10(20)9-19/h10-14,16,19-24H,1-9H2/t10-,11-,12+,13-,14?/m1/s1.

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

(2R,3S,4R,5R)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5,6-hexol has a molecular weight of 398.41 g/mol, XLogP of -3.31, 18 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 144974159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).