Sucrose heptastearate

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CAS
90567-58-1
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Catalog Number

ACM90567581

Product Name

Sucrose heptastearate

Structure

CAS

90567-58-1

What is the molecular formula of Sucrose heptastearate?

The molecular formula of Sucrose heptastearate is C138H260O18.

What is the molecular weight of Sucrose heptastearate?

The molecular weight of Sucrose heptastearate is 2207.5 g/mol.

What is the IUPAC name of Sucrose heptastearate?

The IUPAC name of Sucrose heptastearate is [(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tri(octadecanoyloxy)oxan-2-yl]oxy-3,4-di(octadecanoyloxy)-5-(octadecanoyloxymethyl)oxolan-2-yl]methyl octadecanoate.

What is the InChI of Sucrose heptastearate?

The InChI of Sucrose heptastearate is InChI=1S/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.

What is the InChIKey of Sucrose heptastearate?

The InChIKey of Sucrose heptastearate is WKTGPVRCJVGUCH-MYELPBIZSA-N.

What is the canonical SMILES of Sucrose heptastearate?

The canonical SMILES of Sucrose heptastearate is CCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)(COC(=O)CCCCCCCCCCCCCCCCC)OC2C(C(C(C(O2)CO)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.