dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium

C26H37N4O7+ — CID 132942342

About dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium

dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium (PubChem CID 132942342) has the molecular formula C26H37N4O7+ and a molecular weight of 517.60 g/mol. Its IUPAC name is dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium.

Molecular Properties

• Compound Name: dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium
• PubChem CID: 132942342
• Molecular Formula: C26H37N4O7+
• Molecular Weight: 517.60 g/mol
• Exact Mass: 517.27
• IUPAC Name: dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium
• SMILES: C[N+](C)(CCOCCn1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1)Cc1ccc2ccccc2c1
• InChI: InChI=1S/C26H37N4O7/c1-30(2,15-18-7-8-19-5-3-4-6-20(19)13-18)10-12-35-11-9-29-14-21(27-28-29)17-36-26-25(34)24(33)23(32)22(16-31)37-26/h3-8,13-14,22-26,31-34H,9-12,15-17H2,1-2H3/q+1/t22-,23-,24+,25-,26+/m1/s1
• InChIKey: PYRBLUJOJZTNJL-RTJMFUJLSA-N
• XLogP: 0.04
• TPSA: 139.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.60
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium?

The IUPAC name of dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium (CID 132942342) is dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium.

What is the SMILES notation for dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium?

The canonical SMILES for dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium is C[N+](C)(CCOCCn1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1)Cc1ccc2ccccc2c1.

What is the InChIKey of dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium?

The InChIKey is PYRBLUJOJZTNJL-RTJMFUJLSA-N. The full InChI is InChI=1S/C26H37N4O7/c1-30(2,15-18-7-8-19-5-3-4-6-20(19)13-18)10-12-35-11-9-29-14-21(27-28-29)17-36-26-25(34)24(33)23(32)22(16-31)37-26/h3-8,13-14,22-26,31-34H,9-12,15-17H2,1-2H3/q+1/t22-,23-,24+,25-,26+/m1/s1.

What are the key properties of dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium?

dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium has a molecular weight of 517.60 g/mol, XLogP of 0.04, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium is sourced from PubChem (CID 132942342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).