(1S)-1,5-Anhydro-1-[7-(beta-D-glucopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-D-glucitol

Basic Information

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CAS Number

64809-67-2

Molecular Formula

C25H28O16

Molecular Weight

584.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Boiling Point

1026.377℃ at 760 mmHg

Density

1.839

Solubility

Methanol; DMSO

SMILES

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C1=C2C(=CC(=C1OC3C(C(C(C(O3)CO)O)O)O)O)OC4=C(C2=O)C(=C(C(=C4)O)C5C(C(C(C(O5)CO)O)O)O)O

InChI

InChI=1S/C25H28O16/c26-4-12-17(31)20(34)22(36)24(39-12)14-8(29)3-11-15(19(14)33)16(30)6-1-10(7(28)2-9(6)38-11)40-25-23(37)21(35)18(32)13(5-27)41-25/h1-3,12-13,17-18,20-29,31-37H,4-5H2/t12-,13-,17-,18-,20+,21+,22-,23-,24+,25-/m1/s1

InChIKey

VUWOVGXVRYBSGI-IRXABLMPSA-N

LogP

-3.2434000000000003

Topological Polar Surface Area

280.42999999999995 Å²

Hydrogen Bond Donor/Acceptor

11 / 16

Complexity

924

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

CS-0009737
1,3,6-trihydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
AKOS025311536
MFCD04034741
9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-7-(beta-D-glucopyranosyloxy)-1,3,6-trihydroxy-
A914062
HY-N0723
Neomangiferin
2-beta-D-Glucopyranosyl-7-(b-D-glucopyranosyloxy)-1,3,6-trihydroxy-9H-xanthen-9-one
Mangiferin-7-O-beta-glucoside
Q-100739
2-(b-D-Glucopyranosyl)-7-(b-D-glucopyranosyloxy)-1,3,6-trihydroxy-9H-xanthen-9-one
DTXSID401317610
S3782
AC-34872
Mangiferin 7-glucoside
1,3,6-Trihydroxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9H-xanthen-9-one
7-O-beta-D-glucopyranosyl-mangiferin
64809-67-2
AS-78360
CCG-270142
2-beta-d-glucopyranosyl-7-(b-d-glucopyranosyloxy)-1,3,6-trihydroxy-9h-xanthen-9-one
9H-Xanthen-9-one,2-β-D-glucopyranosyl-7-(β-D-glucopyranosyloxy)-1,3,6-trihydroxy-
eoMangiferin
9H-Xanthen-9-one, 2-b-D-glucopyranosyl-7-(b-D-glucopyranosyloxy)-1,3,6-trihydroxy-
Neo-mangiferin
Neomangiferin;
Mangiferin 7-glucoside;
C25H28O16
O908
N2472

MDL Number

MFCD04034741

FAQ

What is (1S)-1,5-Anhydro-1-[7-(beta-D-glucopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-D-glucitol (CAS: 64809-67-2)?

This compound is a sugar alcohol derived from glucopyranose and xanthone. It has a complex structure and is commonly used in pharmaceuticals and research due to its specific chemical properties.

What are the main uses of (1S)-1,5-Anhydro-1-[7-(beta-D-glucopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-D-glucitol (CAS: 64809-67-2)?

This compound is primarily used in pharmaceuticals as a building block for drug synthesis and in research for biological studies. It may also have applications in cosmetics and food additives.

Is (1S)-1,5-Anhydro-1-[7-(beta-D-glucopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-D-glucitol (CAS: 64809-67-2) safe?

The compound is generally considered safe, but proper handling and storage are necessary. It is non-toxic, but direct contact with skin should be avoided. Follow standard safety protocols and use appropriate personal protective equipment.

How should (1S)-1,5-Anhydro-1-[7-(beta-D-glucopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-D-glucitol (CAS: 64809-67-2) be stored?

Store at room temperature in a dry, well-ventilated place. Keep away from direct sunlight and moisture. Use a tightly sealed container to protect from air and humidity. Avoid contact with flammable materials and keep in a cool, dark, and dry environment.