CAS
93892-58-1 Purity
96%
93892-58-1 Purity
96%
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Tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate
CAS
93892-64-9
Catalog Number
ACM93892649
Category
Other Products
Molecular Weight
697.080400 [g/mol]
Molecular Formula
C42H80O7
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Specification
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
InChI Key
PPXRWADJRFKXFV-UHFFFAOYSA-N
Boiling Point
730.6ºC at 760mmHg
Flash Point
200.9ºC
Density
0.99g/cm³
Exact Mass
696.59000
H-Bond Acceptor
7
H-Bond Donor
2
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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