(2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

C22H42N4O10 — CID 25199392

About (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

(2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 25199392) has the molecular formula C22H42N4O10 and a molecular weight of 522.60 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
• PubChem CID: 25199392
• Molecular Formula: C22H42N4O10
• Molecular Weight: 522.60 g/mol
• Exact Mass: 522.29
• IUPAC Name: (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
• SMILES: OCCOCCOCCOCCOCCOCc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1
• InChI: InChI=1S/C22H42N4O10/c27-4-5-32-6-7-33-8-9-34-10-11-35-12-13-36-17-18-14-26(24-23-18)3-1-2-25-15-20(29)22(31)21(30)19(25)16-28/h14,19-22,27-31H,1-13,15-17H2/t19-,20+,21-,22-/m1/s1
• InChIKey: OYUTZGWNNXXGTQ-CIAFKFPVSA-N
• XLogP: -3.00
• TPSA: 181.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.60
LogP ≤ 5	-3.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?

The IUPAC name of (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 25199392) is (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol.

What is the SMILES notation for (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?

The canonical SMILES for (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol is OCCOCCOCCOCCOCCOCc1cn(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1.

What is the InChIKey of (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?

The InChIKey is OYUTZGWNNXXGTQ-CIAFKFPVSA-N. The full InChI is InChI=1S/C22H42N4O10/c27-4-5-32-6-7-33-8-9-34-10-11-35-12-13-36-17-18-14-26(24-23-18)3-1-2-25-15-20(29)22(31)21(30)19(25)16-28/h14,19-22,27-31H,1-13,15-17H2/t19-,20+,21-,22-/m1/s1.

What are the key properties of (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?

(2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 522.60 g/mol, XLogP of -3.00, 21 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S)-1-[3-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 25199392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).