N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide

C32H64N2O5 — CID 18633872

About N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide

N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide (PubChem CID 18633872) has the molecular formula C32H64N2O5 and a molecular weight of 556.87 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide
• PubChem CID: 18633872
• Molecular Formula: C32H64N2O5
• Molecular Weight: 556.87 g/mol
• Exact Mass: 556.48
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide
• SMILES: CCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
• InChI: InChI=1S/C32H64N2O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-28(36)34(25-23-21-19-17-14-12-10-8-6-4-2)32-29(33)31(38)30(37)27(26-35)39-32/h27,29-32,35,37-38H,3-26,33H2,1-2H3/t27-,29-,30-,31-,32-/m1/s1
• InChIKey: SCBALPSREDEWCY-CYWWGENVSA-N
• XLogP: 6.20
• TPSA: 116.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 25
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.87
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide?

The IUPAC name of N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide (CID 18633872) is N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide.

What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide?

The canonical SMILES for N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide is CCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N.

What is the InChIKey of N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide?

The InChIKey is SCBALPSREDEWCY-CYWWGENVSA-N. The full InChI is InChI=1S/C32H64N2O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-28(36)34(25-23-21-19-17-14-12-10-8-6-4-2)32-29(33)31(38)30(37)27(26-35)39-32/h27,29-32,35,37-38H,3-26,33H2,1-2H3/t27-,29-,30-,31-,32-/m1/s1.

What are the key properties of N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide?

N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide has a molecular weight of 556.87 g/mol, XLogP of 6.20, 25 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide is sourced from PubChem (CID 18633872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).