1,3-DIOXANE-5,5-DIMETHANOL

Inquiry

Molecular Formula:

C6H12O4

Molecular Weight:

148.16

CAS Number:

6228-25-7

Catalog Number:

6228-25-7

Product Information

Molecular Formula:

C6H12O4

Molecular Weight:

148.16

Description

1,3-DIOXANE-5,5-DIMETHANOL, ubiquitously employed within the realm of biomedicine, caters predominantly to pharmaceutical exigencies. As an important fulcrum for specific antiviral therapies, its role is to promote research and development of antiviral drugs.

Synonyms

CYCLIC PENTAERYTHRITOL MONOFORMAL; 1,3-DIOXANE-5,5-DIMETHANOL; 1,3-DIOXANE-5,5-DIMETHANOL, TECH., 90%; PENTAERYTHRITOL CYCLIC MONOFORMAL); Ai3-23522; Einecs 228-329-7

IUPAC Name

[5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol

Canonical SMILES

C1C(COCO1)(CO)CO

InChI

InChI=1S/C6H12O4/c7-1-6(2-8)3-9-5-10-4-6/h7-8H,1-5H2

InChI Key

ZTISUHQLYYPYFA-UHFFFAOYSA-N

Melting Point

58-60 °C (lit.)

Flash Point

Not applicable

Purity

0.9

Computed Properties

XLogP3

-1.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

148.07355886 g/mol

Monoisotopic Mass

148.07355886 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

91.9

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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Volume _(start)

Concentration _(final)

Volume _(final)

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1,3-DIOXANE-5,5-DIMETHANOL

Product Information

Computed Properties

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