N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide

C24H47NO6 — CID 70985585

About N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide

N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide (PubChem CID 70985585) has the molecular formula C24H47NO6 and a molecular weight of 445.64 g/mol. Its IUPAC name is N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide.

Molecular Properties

• Compound Name: N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
• PubChem CID: 70985585
• Molecular Formula: C24H47NO6
• Molecular Weight: 445.64 g/mol
• Exact Mass: 445.34
• IUPAC Name: N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
• SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C24H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(27)25-24-23(30)22(29)21(28)19(18-26)31-24/h19,21-24,26,28-30H,2-18H2,1H3,(H,25,27)/t19?,21-,22+,23?,24-/m1/s1
• InChIKey: MZSCOAHSQQHJJB-HSQINTTRSA-N
• XLogP: 3.16
• TPSA: 119.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.64
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	5
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,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide?

The IUPAC name of N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide (CID 70985585) is N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide.

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

The canonical SMILES for N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O.

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

The InChIKey is MZSCOAHSQQHJJB-HSQINTTRSA-N. The full InChI is InChI=1S/C24H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(27)25-24-23(30)22(29)21(28)19(18-26)31-24/h19,21-24,26,28-30H,2-18H2,1H3,(H,25,27)/t19?,21-,22+,23?,24-/m1/s1.

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

N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide has a molecular weight of 445.64 g/mol, XLogP of 3.16, 18 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide is sourced from PubChem (CID 70985585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).