2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C30H52N6O11 — CID 118261181

About 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 118261181) has the molecular formula C30H52N6O11 and a molecular weight of 672.78 g/mol. Its IUPAC name is 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 118261181
• Molecular Formula: C30H52N6O11
• Molecular Weight: 672.78 g/mol
• Exact Mass: 672.37
• IUPAC Name: 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OCC1OC(OCCCCCCCOCc2cn(CCOCCOCCOCc3cn(CC4CCC4O)nn3)nn2)C(O)C(O)C1O
• InChI: InChI=1S/C30H52N6O11/c37-19-26-27(39)28(40)29(41)30(47-26)46-10-5-3-1-2-4-9-44-20-23-17-35(33-31-23)8-11-42-12-13-43-14-15-45-21-24-18-36(34-32-24)16-22-6-7-25(22)38/h17-18,22,25-30,37-41H,1-16,19-21H2
• InChIKey: MUSPFTQNHHEVQE-UHFFFAOYSA-N
• XLogP: -0.83
• TPSA: 217.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.78
LogP ≤ 5	-0.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 118261181) is 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1OC(OCCCCCCCOCc2cn(CCOCCOCCOCc3cn(CC4CCC4O)nn3)nn2)C(O)C(O)C1O.

What is the InChIKey of 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is MUSPFTQNHHEVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N6O11/c37-19-26-27(39)28(40)29(41)30(47-26)46-10-5-3-1-2-4-9-44-20-23-17-35(33-31-23)8-11-42-12-13-43-14-15-45-21-24-18-36(34-32-24)16-22-6-7-25(22)38/h17-18,22,25-30,37-41H,1-16,19-21H2.

What are the key properties of 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 672.78 g/mol, XLogP of -0.83, 25 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[[1-[2-[2-[2-[[1-[(2-hydroxycyclobutyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]heptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 118261181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).