(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide

C48H95NO5 — CID 162850318

About (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide

(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide (PubChem CID 162850318) has the molecular formula C48H95NO5 and a molecular weight of 766.29 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide.

Molecular Properties

• Compound Name: (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide
• PubChem CID: 162850318
• Molecular Formula: C48H95NO5
• Molecular Weight: 766.29 g/mol
• Exact Mass: 765.72
• IUPAC Name: (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide
• SMILES: CCCCCCCCCCCCCCCCCCCC=CCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCCCC
• InChI: InChI=1S/C48H95NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-45(51)47(53)44(43-50)49-48(54)46(52)42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2/h30-31,44-47,50-53H,3-29,32-43H2,1-2H3,(H,49,54)/t44-,45+,46+,47-/m0/s1
• InChIKey: OFOJMALMOYSBOL-RUWIFGGXSA-N
• XLogP: 12.97
• TPSA: 110.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 44
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.29
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide?

The IUPAC name of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide (CID 162850318) is (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide.

What is the SMILES notation for (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide?

The canonical SMILES for (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide is CCCCCCCCCCCCCCCCCCCC=CCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCCCC.

What is the InChIKey of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide?

The InChIKey is OFOJMALMOYSBOL-RUWIFGGXSA-N. The full InChI is InChI=1S/C48H95NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-45(51)47(53)44(43-50)49-48(54)46(52)42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2/h30-31,44-47,50-53H,3-29,32-43H2,1-2H3,(H,49,54)/t44-,45+,46+,47-/m0/s1.

What are the key properties of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide?

(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide has a molecular weight of 766.29 g/mol, XLogP of 12.97, 44 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytriacont-10-en-2-yl]octadecanamide is sourced from PubChem (CID 162850318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).