N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide

About N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide

N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide (PubChem CID 76565976) has the molecular formula C54H105NO15 and a molecular weight of 1008.43 g/mol. Its IUPAC name is N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide.

Molecular Properties

Compound Name	N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide
PubChem CID	76565976
Molecular Formula	C54H105NO15
Molecular Weight	1008.43 g/mol
Exact Mass	1007.75
IUPAC Name	N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide
SMILES	CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(OC2OC(C(O)CO)C(O)C2O)C1O)C(O)C(O)CCCCCCCCCCCCCC
InChI	InChI=1S/C54H105NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(59)52(66)55-40(45(61)41(58)35-33-31-29-27-25-16-14-12-10-8-6-4-2)39-67-53-49(65)51(46(62)44(38-57)68-53)70-54-48(64)47(63)50(69-54)43(60)37-56/h40-51,53-54,56-65H,3-39H2,1-2H3,(H,55,66)
InChIKey	AIVHXDIMYHCYPR-UHFFFAOYSA-N
XLogP	6.50
TPSA	268.32 Å²
H-Bond Donors	11
H-Bond Acceptors	15
Rotatable Bonds	46
Heavy Atoms	70
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1008.43
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide?

The IUPAC name of N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide (CID 76565976) is N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide.

What is the SMILES notation for N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide?

The canonical SMILES for N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide is CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(OC2OC(C(O)CO)C(O)C2O)C1O)C(O)C(O)CCCCCCCCCCCCCC.

What is the InChIKey of N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide?

The InChIKey is AIVHXDIMYHCYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H105NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(59)52(66)55-40(45(61)41(58)35-33-31-29-27-25-16-14-12-10-8-6-4-2)39-67-53-49(65)51(46(62)44(38-57)68-53)70-54-48(64)47(63)50(69-54)43(60)37-56/h40-51,53-54,56-65H,3-39H2,1-2H3,(H,55,66).

What are the key properties of N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide?

N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide has a molecular weight of 1008.43 g/mol, XLogP of 6.50, 46 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytetracosanamide is sourced from PubChem (CID 76565976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).