(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol

C15H27N3O9 — CID 44632571

About (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol (PubChem CID 44632571) has the molecular formula C15H27N3O9 and a molecular weight of 393.39 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol
• PubChem CID: 44632571
• Molecular Formula: C15H27N3O9
• Molecular Weight: 393.39 g/mol
• Exact Mass: 393.17
• IUPAC Name: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol
• SMILES: OCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
• InChI: InChI=1S/C15H27N3O9/c19-8-10-7-18(17-16-10)1-2-24-3-4-25-5-6-26-15-14(23)13(22)12(21)11(9-20)27-15/h7,11-15,19-23H,1-6,8-9H2/t11-,12+,13+,14-,15-/m1/s1
• InChIKey: LKONNCIGQKWLIG-GZBLMMOJSA-N
• XLogP: -3.38
• TPSA: 168.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.39
LogP ≤ 5	-3.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol (CID 44632571) is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol is OCc1cn(CCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1.

What is the InChIKey of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol?

The InChIKey is LKONNCIGQKWLIG-GZBLMMOJSA-N. The full InChI is InChI=1S/C15H27N3O9/c19-8-10-7-18(17-16-10)1-2-24-3-4-25-5-6-26-15-14(23)13(22)12(21)11(9-20)27-15/h7,11-15,19-23H,1-6,8-9H2/t11-,12+,13+,14-,15-/m1/s1.

What are the key properties of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol?

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol has a molecular weight of 393.39 g/mol, XLogP of -3.38, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 44632571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).