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1,3:2,4-Bis-O-[(3,4-dimethylphenyl)methylene]-D-glucitol

1,3:2,4-Bis-O-[(3,4-dimethylphenyl)methylene]-D-glucitol

Inquiry

Molecular Formula:

C24H30O6

Molecular Weight:

414.49

CAS Number:

135861-56-2

Catalog Number:

135861-56-2

Product Information

Molecular Formula:

C24H30O6

Molecular Weight:

414.49

Description

1,3:2,4-Bis-O-[(3,4-dimethylphenyl)methylene]-D-glucitol (CAS# 135861-56-2) is a useful research chemical.

Synonyms

(1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol; (1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

IUPAC Name

(1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

Canonical SMILES

CC1=C(C=C(C=C1)C2OCC3C(O2)C(OC(O3)C4=CC(=C(C=C4)C)C)C(CO)O)C

InChI

InChI=1S/C24H30O6/c1-13-5-7-17(9-15(13)3)23-27-12-20-22(30-23)21(19(26)11-25)29-24(28-20)18-8-6-14(2)16(4)10-18/h5-10,19-26H,11-12H2,1-4H3/t19-,20+,21-,22-,23?,24?/m1/s1

InChI Key

YWEWWNPYDDHZDI-JJKKTNRVSA-N

Boiling Point

611.599 °C at 760 mmHg

Melting Point

275 °C

Flash Point

323.684°C

Purity

> 98.0 % (HPLC)

Density

1.195 g/cm³

Solubility

water, 2.204 mg/L @ 25 °C (est)

Appearance

White to almost white powder to crystal

LogP

3.17020

Computed Properties

XLogP3

2.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

414.20423867 g/mol

Monoisotopic Mass

414.20423867 g/mol

Topological Polar Surface Area

77.4Å²

Heavy Atom Count

Formal Charge

Complexity

558

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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1,3:2,4-Bis-O-[(3,4-dimethylphenyl)methylene]-D-glucitol

Product Information

Computed Properties

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