N-[(4Z)-1-{[4-O-(alpha-D-Galactopyranosyl)-beta-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamide
[CAS# 77538-38-6]

Identification

• Name: N-[(4Z)-1-{[4-O-(alpha-D-Galactopyranosyl)-beta-D-galactopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamide
• Synonyms: 7C-aglycone; Biotin sulfone; Galactan
• Molecular Formula: C₅₅H₁₀₅NO₁₃
• Molecular Weight: 988.42
• CAS Registry Number: 77538-38-6
• SMILES: CCCCCCCCCCCCC\C=C/C(O)C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)CO[C@@H]2O[C@H](CO)[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]2O
• InChI: 1S/C55H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-47(60)56-43(44(59)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)42-66-54-52(65)50(63)53(46(41-58)68-54)69-55-51(64)49(62)48(61)45(40-57)67-55/h36,38,43-46,48-55,57-59,61-65H,3-35,37,39-42H2,1-2H3,(H,56,60)/b38-36-/t43?,44?,45-,46-,48+,49+,50-,51-,52-,53+,54-,55-/m1/s1
• InChIKey: WPIHMWBQRSAMDE-JRHAWULRSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 1043.906°C at 760 mmHg (Cal.)
• Flash point: 585.133°C (Cal.)