N-[3,4-Dihydroxy-16-Methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoctadecan-2-Yl]-2-Hydroxytetracosanamide
[CAS# 152139-44-1]

Identification

• Name: N-[3,4-Dihydroxy-16-Methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoctadecan-2-Yl]-2-Hydroxytetracosanamide
• Synonyms: N-[2,3-Dihydroxy-15-Methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Heptadecyl]-2-Hydroxy-Tetracosanamide; N-[2,3-Dihydroxy-15-Methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]Heptadecyl]-2-Hydroxytetracosanamide; N-[2,3-Dihydroxy-15-Methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Heptadecyl]-2-Hydroxy-Lignoceramide
• Molecular Formula: C₄₉H₉₇NO₁₀
• Molecular Weight: 860.31
• CAS Registry Number: 152139-44-1
• SMILES: [C@@H]1(OCC(NC(C(CCCCCCCCCCCCCCCCCCCCCC)O)=O)C(C(CCCCCCCCCCCC(CC)C)O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO
• InChI: 1S/C49H97NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(53)48(58)50-40(38-59-49-47(57)46(56)45(55)43(37-51)60-49)44(54)41(52)35-32-29-26-24-21-22-25-28-31-34-39(3)5-2/h39-47,49,51-57H,4-38H2,1-3H3,(H,50,58)/t39?,40?,41?,42?,43-,44?,45+,46+,47-,49+/m1/s1
• InChIKey: CWDKQZNZOJUUBP-DPNOIICRSA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 953.38°C at 760 mmHg (Cal.)
• Flash point: 530.385°C (Cal.)