Sucrose heptamyristate

CAS
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Purity
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CAS
94031-24-0
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Purity
96%
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Catalog Number

ACM94031240

Product Name

Sucrose heptamyristate

Structure

Structure

CAS

94031-24-0

Category

Heterocyclic Organic Compound

Synonyms

Sucrose heptamyristate, EINECS 301-730-5, 94031-24-0

IUPAC Name

[(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tri(tetradecanoyloxy)oxan-2-yl]oxy-3,4-di(tetradecanoyloxy)-5-(tetradecanoyloxymethyl)oxolan-2-yl]methyl tetradecanoate

Molecular Weight

1814.785960 [g/mol]

Molecular Formula

C₁₁₀H₂₀₄O₁₈

Canonical SMILES

CCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)(COC(=O)CCCCCCCCCCCCC)OC2C(C(C(C(O2)CO)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChI Key

XQJYXYBLMYFQOY-WIKZPNJNSA-N

EC Number

301-730-5

H-Bond Acceptor

18

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of sucrose heptamyristate?

The molecular formula of sucrose heptamyristate is C110H204O18.

When was sucrose heptamyristate created in PubChem?

Sucrose heptamyristate was created in PubChem on August 20, 2009.

What is the molecular weight of sucrose heptamyristate?

The molecular weight of sucrose heptamyristate is 1814.8 g/mol.

What is the IUPAC name of sucrose heptamyristate?

The IUPAC name of sucrose heptamyristate is [(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tri(tetradecanoyloxy)oxan-2-yl]oxy-3,4-di(tetradecanoyloxy)-5-(tetradecanoyloxymethyl)oxolan-2-yl]methyl tetradecanoate.

What is the InChI of sucrose heptamyristate?

The InChI of sucrose heptamyristate is InChI=1S/C110H204O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-97(112)119-93-96-105(123-100(115)88-81-74-67-60-53-46-39-32-25-18-11-4)108(126-103(118)91-84-77-70-63-56-49-42-35-28-21-14-7)110(127-96,94-120-98(113)86-79-72-65-58-51-44-37-30-23-16-9-2)128-109-107(125-102(117)90-83-76-69-62-55-48-41-34-27-20-13-6)106(124-101(116)89-82-75-68-61-54-47-40-33-26-19-12-5)104(95(92-111)121-109)122-99(114)87-80-73-66-59-52-45-38-31-24-17-10-3/h95-96,104-109,111H,8-94H2,1-7H3/t95-,96-,104-,105-,106+,107-,108+,109-,110+/m1/s1.

What is the InChIKey of sucrose heptamyristate?

The InChIKey of sucrose heptamyristate is XQJYXYBLMYFQOY-WIKZPNJNSA-N.

How many hydrogen bond acceptor counts does sucrose heptamyristate have?

Sucrose heptamyristate has 18 hydrogen bond acceptor counts.

What is the topological polar surface area of sucrose heptamyristate?

The topological polar surface area of sucrose heptamyristate is 232 Å2.

How many rotatable bond counts does sucrose heptamyristate have?

Sucrose heptamyristate has 103 rotatable bond counts.

What is the CAS number of sucrose heptamyristate?

The CAS number of sucrose heptamyristate is 94031-24-0.

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