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Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate

Name: Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate
SKU: ACM93892649-1
Rating: 5 (1 reviews)

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Catalog NumberACM93892649-1

CAS Number93892-64-9

CategoryFatty-acid Products

Synonyms

EINECS 299-549-9, Tetrahydro-3,5-dihydroxy-2-(((1-oxooctadecyl)oxy)methyl)-2H-pyran-4-yl stearate, 93892-64-9

IUPAC Name

(3,5-dihydroxy-4-octadecanoyloxyoxan-2-yl)methyl octadecanoate

Molecular Weight

697.080400 [g/mol]

Molecular Formula

C₄₂H₈₀O₇

InChI Key

PPXRWADJRFKXFV-UHFFFAOYSA-N

Boiling Point

730.6ºC at 760mmHg

Flash Point

200.9ºC

Purity

96%

Density

0.99g/cm³

Exact Mass

696.59000

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Custom Q&A

What is the molecular formula of Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate?

The molecular formula is C42H80O7.

What is the molecular weight of Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate?

The molecular weight is 697.1 g/mol.

What is the IUPAC Name of Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate?

The IUPAC Name is (3,5-dihydroxy-4-octadecanoyloxyoxan-2-yl)methyl octadecanoate.

What is the InChI of Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate?

The InChI is InChI=1S/C42H80O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)48-36-38-41(46)42(37(43)35-47-38)49-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-43,46H,3-36H2,1-2H3.

What is the XLogP3-AA value of Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate?

The XLogP3-AA value is 15.3.

How many hydrogen bond donor counts are there in Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate?

There are 2 hydrogen bond donor counts.

What is the exact mass of Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate?

The exact mass is 696.59040489 g/mol.

How many rotatable bond counts are there in Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate?

There are 37 rotatable bond counts.

What is the topological polar surface area of Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate?

The topological polar surface area is 102 ?^2.

Is Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate a canonicalized compound?

Yes, it is a canonicalized compound.

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