Sucrose heptastearate

Name: Sucrose heptastearate
SKU: ACM90567581
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CAS

90567-58-1

Catalog Number

ACM90567581

Category

Other Products

Molecular Weight

2207.5302

Molecular Formula

C₁₃₈H₂₆₀O₁₈

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Specification

Synonyms

Sucrose heptastearate, EINECS 292-202-2, 90567-58-1

IUPAC Name

[(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

Canonical SMILES

CCCCCCCCCCCCCCCCCC(=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

InChI Key

WKTGPVRCJVGUCH-MYELPBIZSA-N

Density

0.98g/cm³

EC Number

292-202-2

H-Bond Acceptor

H-Bond Donor

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.

What is the CAS number of Sucrose heptastearate?

The CAS number of Sucrose heptastearate is 90567-58-1.

What is the European Community (EC) number of Sucrose heptastearate?

The European Community (EC) number of Sucrose heptastearate is 292-202-2.

What is the XLogP3-AA value of Sucrose heptastearate?

The XLogP3-AA value of Sucrose heptastearate is 57.4.

What is the hydrogen bond donor count of Sucrose heptastearate?

The hydrogen bond donor count of Sucrose heptastearate is 1.