cis,cis-1,3,5-Cyclohexanetriol dihydrate

Inquiry

Molecular Formula:

C6H12O3.2H2O

Molecular Weight:

168.19

CAS Number:

60662-54-6

Catalog Number:

60662-54-6

Product Information

Molecular Formula:

C6H12O3.2H2O

Molecular Weight:

168.19

Description

Cis,cis-1,3,5-Cyclohexanetriol dihydrate is a pharmaceutical chemical that is harnessed to rectify select integumentary ailments. A powerful moisturizer, this compound is favored by the skin research community for its powerful antioxidant capabilities.

Synonyms

1,3,5-Cyclohexanetriol, hydrate (1:2), (1α,3α,5α)-; 1,3,5-Cyclohexanetriol, dihydrate, (1α,3α,5α)-; (1α,3α,5α)-1,3,5-Cyclohexanetriol dihydrate; all-cis-1,3,5-Cyclohexanetriol dihydrate; cis,cis-1,3,5-Trihydroxycyclohexane dihydrate; cis,cis-Cyclohexane-1,3,5-triol dihydrate; cis-1,3,5-Cyclohexanetriol dihydrate; cis-Phloroglucitol dihydrate

IUPAC Name

(1s,3s,5s)-cyclohexane-1,3,5-triol;dihydrate

Canonical SMILES

O.O.OC1CC(O)CC(O)C1

InChI

InChI=1S/C6H12O3.2H2O/c7-4-1-5(8)3-6(9)2-4;;/h4-9H,1-3H2;2*1H2/t4-,5+,6-;;

InChI Key

MAPLMYMZLRIJSP-XHTDGWPANA-N

Melting Point

108-111°C

Flash Point

Not applicable

Purity

≥95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

168.09977361 g/mol

Monoisotopic Mass

168.09977361 g/mol

Topological Polar Surface Area

62.7Å²

Heavy Atom Count

Formal Charge

Complexity

63.3

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

cis,cis-1,3,5-Cyclohexanetriol dihydrate

Product Information

Computed Properties

Related Products