bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide

C48H97NO10 — CID 158980177

About bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide

bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide (PubChem CID 158980177) has the molecular formula C48H97NO10 and a molecular weight of 848.30 g/mol. Its IUPAC name is bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide.

Molecular Properties

• Compound Name: bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide
• PubChem CID: 158980177
• Molecular Formula: C48H97NO10
• Molecular Weight: 848.30 g/mol
• Exact Mass: 847.71
• IUPAC Name: bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide
• SMILES: CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC[C@](O)(C(N)=O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C24H49NO6.2C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(31,23(25)30)22(29)21(28)20(27)19-26;2*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h20-22,26-29,31H,2-19H2,1H3,(H2,25,30);2*2-11H2,1H3,(H,13,14)/t20-,21-,22+,24-;;/m1../s1
• InChIKey: JOWXHDXIEKNTFZ-JUNRQFKUSA-N
• XLogP: 10.91
• TPSA: 218.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 42
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.30
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide?

The IUPAC name of bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide (CID 158980177) is bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide.

What is the SMILES notation for bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide?

The canonical SMILES for bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide is CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC[C@](O)(C(N)=O)[C@@H](O)[C@H](O)[C@H](O)CO.

What is the InChIKey of bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide?

The InChIKey is JOWXHDXIEKNTFZ-JUNRQFKUSA-N. The full InChI is InChI=1S/C24H49NO6.2C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(31,23(25)30)22(29)21(28)20(27)19-26;2*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h20-22,26-29,31H,2-19H2,1H3,(H2,25,30);2*2-11H2,1H3,(H,13,14)/t20-,21-,22+,24-;;/m1../s1.

What are the key properties of bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide?

bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide has a molecular weight of 848.30 g/mol, XLogP of 10.91, 42 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dodecanoic acid);(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]icosanamide is sourced from PubChem (CID 158980177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).