90567-58-1

The CAS registry number of Sucrose heptastearate is 90567-58-1. Its EINECS registry number is 292-202-2. This chemical's molecular formula is C₁₃₈H₂₆₀O₁₈ and molecular weight is 2207.5302. What's more, its systematic name is called [(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-6-(Hydroxymethyl)-3,4,5-tri(octadecanoyloxy)tetrahydropyran-2-yl]oxy-3,4-di(octadecanoyloxy)-5-(octadecanoyloxymethyl)tetrahydrofuran-2-yl]methyl octadecanoate.

Physical properties about Sucrose heptastearate are: (1) ACD/LogP: 62.16; (2) # of Rule of 5 Violations: 3; (3) ACD/LogD (pH 5.5): 62.16; (4) ACD/LogD (pH 7.4): 62.16; (5) #H bond acceptors: 18; (6) #H bond donors: 1; (7) #Freely Rotating Bonds: 132; (8) Polar Surface Area: 232.02 Å²; (9) Index of Refraction: 1.498; (10) Molar Refractivity: 656.62 cm³; (11) Molar Volume: 2236.6 cm³; (12) Surface Tension: 43.3 dyne/cm; (13) Density: 0.98 g/cm³; (14)Flash Point: 278 °C; (15) Enthalpy of Vaporization: 245.01 kJ/mol; (16) Boiling Point: 1428.9 °C at 760 mmHg; (17) Vapour Pressure: 0 mmHg at 25 °C

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@@H]2[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)O[C@](O[C@H]1O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC C)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C138H260O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-92-99-106-113-125(140)147-121-124-133(151-128(143)116-109-102-95-88-81-74-67-60-53-46-39-32-25-18-11-4)136(154-131(146)119-112-105-98-91-84-77-70-63-56-49-42-35-28-21-14-7)138(155-124,122-148-126(141)114-107-100-93-86-79-72-65-58-51-44-37-30-23-16-9-2)156-137-135(153-130(145)118-111-104-97-90-83-76-69-62-55-48-41-34-27-20-13-6)134(152-129(144)117-110-103-96-89-82-75-68-61-54-47-40-33-26-19-12-5)132(123(120-139)149-137)150-127(142)115-108-101-94-87-80-73-66-59-52-45-38-31-24-17-10-3/h123-124,132-137,139H,8-122H2,1-7H3/t123-,124-,132-,133-,134+,135-,136+,137-,138+/m1/s1
(3) InChIKey: WKTGPVRCJVGUCH-MYELPBIZBZ