2-(Hydroxymethyl)phenyl beta-D-glucopyranoside

Basic Information

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CAS Number

138-52-3

Molecular Formula

C13H18O7

Molecular Weight

286.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

199.0 to 202.0 deg-C

Boiling Point

388.65°C (rough estimate)

Water Solubility

36 g/L (15 ºC), 250 g/L (60 ºC)

Flash Point

285.9 °C

Solubility

36g/l

Refractive Index

-62 ° (C=3, H2O)

Specific Rotation

-61.5 º (c=5, water)

SMILES

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c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1

InChIKey

NGFMICBWJRZIBI-UJPOAAIJSA-N

LogP

-1.6424

Topological Polar Surface Area

119.61000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

300

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Storage Conditions

2-8℃

Stability

Stability Stable, but light sensitive. Incompatible with strong oxidizing agents.

Synonyms & References

English

(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triol
D-Salicin (1.05055)
alpha-hydroxy-o-tolyl beta-D-glucopyranoside
2-(hydroxymethyl)phenyl beta-D-glucopyranoside
White Willow Bark Extract
Salicin
D(-)-Salicin
2-(Hydroxymethyl)phenyl-beta-D-glucopyranoside
D-(-)-Salicin
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-(hydroxymethyl)-phenoxy)tetrahydro-2H-pyran-3,4,5-triol
2-(Hydroxymethyl)phenyl-β-D-glucopyranoside
SALICIN(P) (AHP Verified) PrintBack
SALICIN(RG)
SALICIN(SH)
Salicoside
2-(Hydroxymethyl)phenyl β-D-glucopyranoside
D-(−)-Salicin
D-(?)-Salicin
Salicine
Salix alba L.
WHITE WILLOW
Salicyl alcohol glucoside
Saligenin β-D-glucoside
D-SALICIN
SALICIN(AHP)
[ "" ]
Salix alba L.
Saligenin beta-D-glucopyranoside
Saligenin-beta-D-glucopyranoside
Salicin (6CI,8CI)
o-(Hydroxymethyl)phenyl beta-D-glucopyranoside

MDL Number

MFCD00006590

Customs Code

29389090

FAQ

What is 2-(Hydroxymethyl)phenyl beta-D-glucopyranoside (CAS: 138-52-3)?

2-(Hydroxymethyl)phenyl beta-D-glucopyranoside (CAS: 138-52-3) is a glycoside compound consisting of a phenyl ring with a hydroxymethyl group attached to the second carbon, linked to a beta-D-glucopyranoside sugar unit. It is a white to pale yellow solid with a molecular formula of C12H14O6. This compound is known for its potential applications in medicinal chemistry and is often studied for its biological activity and reactivity in organic synthesis.

What are the main uses of 2-(Hydroxymethyl)phenyl beta-D-glucopyranoside (CAS: 138-52-3)?

2-(Hydroxymethyl)phenyl beta-D-glucopyranoside (CAS: 138-52-3) is primarily used in pharmaceutical research as a building block for developing drugs, particularly in the synthesis of bioactive compounds and glycosylated derivatives. It also finds applications in organic chemistry for its utility in glycosylation reactions and in the study of carbohydrate-based molecules. Additionally, it is used in research related to medicinal chemistry and drug delivery systems.

Is 2-(Hydroxymethyl)phenyl beta-D-glucopyranoside (CAS: 138-52-3) safe?

2-(Hydroxymethyl)phenyl beta-D-glucopyranoside (CAS: 138-52-3) is generally considered safe when handled properly. However, as with many chemical compounds, it is important to follow standard safety protocols, including the use of personal protective equipment (PPE) such as gloves and goggles. It should be stored in a well-ventilated area and kept away from incompatible substances to ensure safety during handling and use.

How should 2-(Hydroxymethyl)phenyl beta-D-glucopyranoside (CAS: 138-52-3) be stored?

2-(Hydroxymethyl)phenyl beta-D-glucopyranoside (CAS: 138-52-3) should be stored in a cool, dry place away from direct light. It is best kept in a sealed container to prevent moisture absorption and maintain stability. Storage conditions should be controlled at temperatures below 25°C and relative humidity less than 60% to ensure the compound remains chemically stable and safe for use.