Diethyl bis(hydroxymethyl)malonate

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Catalog Number Size Price Stock Quantity
B2699-010716 500 g $398 In stock
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Product Information

Molecular Formula:
C9H16O6
Molecular Weight:
220.22
Description
Diethyl bis(hydroxymethyl)malonate, a chemical compound found in the pharmaceutical industry, has been found to have potential uses in the treatment of Alzheimer's disease and cancer due to its unique properties. Additionally, it plays a significant role in the synthesis of antiviral drugs, including acyclovir and ganciclovir. Its prominence in drug production highlights its importance in the medical field.
Synonyms
Diethyl 2,2-bis(hydroxymethyl)malonate; Propanedioic acid, bis(hydroxymethyl)-, diethyl ester
IUPAC Name
diethyl 2,2-bis(hydroxymethyl)propanedioate
Canonical SMILES
CCOC(=O)C(CO)(CO)C(=O)OCC
InChI
InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3
InChI Key
WIOHBOKEUIHYIC-UHFFFAOYSA-N
Boiling Point
351.3±37.0 °C at 760 mmHg
Melting Point
49-51 °C(lit.)
Flash Point
230.0 °CF - closed cup
Purity
98%
Density
1.224 g/cm3
Appearance
white to almost white crystalline solid

Computed Properties

XLogP3
-0.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
8
Exact Mass
220.09468823 g/mol
Monoisotopic Mass
220.09468823 g/mol
Topological Polar Surface Area
93.1Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
201
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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