Sucrose heptapalmitate

The Sucrose heptapalmitate, with the CAS registry number 38884-66-1, is also known as 1,3,4,6-Tetra-O-palmitoyl-β-D-fructofuranosyl 2,3,4-tri-O-palmitoyl-α-D-glucopyranoside. Its EINECS registry number is 254-177-6. This chemical's molecular formula is C₁₂₄H₂₃₂O₁₈ and molecular weight is 2011.15808. Its systematic name is called [(2R,3R,4S,5S)-3,4-di(hexadecanoyloxy)-5-(hexadecanoyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tri(hexadecanoyloxy)-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl hexadecanoate.

Physical properties of Sucrose heptapalmitate: (1)ACD/LogP: 54.72; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 54.72; (4)ACD/LogD (pH 7.4): 54.72; (5)#H bond acceptors: 18; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 118; (8)Index of Refraction: 1.499; (9)Molar Refractivity: 591.78 cm³; (10)Molar Volume: 2015.1 cm³; (11)Surface Tension: 43.5 dyne/cm; (12)Density: 0.99 g/cm³; (13)Flash Point: 273 °C; (14)Enthalpy of Vaporization: 229.99 kJ/mol; (15)Boiling Point: 1353.1 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H]2O[C@](O[C@H]1O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]2OC(= O)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C124H232O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-92-99-111(126)133-107-110-119(137-114(129)102-95-88-81-74-67-60-53-46-39-32-25-18-11-4)122(140-117(132)105-98-91-84-77-70-63-56-49-42-35-28-21-14-7)124(141-110,108-134-112(127)100-93-86-79-72-65-58-51-44-37-30-23-16-9-2)142-123-121(139-116(131)104-97-90-83-76-69-62-55-48-41-34-27-20-13-6)120(138-115(130)103-96-89-82-75-68-61-54-47-40-33-26-19-12-5)118(109(106-125)135-123)136-113(128)101-94-87-80-73-66-59-52-45-38-31-24-17-10-3/h109-110,118-123,125H,8-108H2,1-7H3/t109-,110-,118-,119-,120+,121-,122+,123-,124+/m1/s1
(3)InChIKey: ZVQUPBKQELCYRA-IWXMHAAEBE