(9R,9'R)-5-(beta-D-Glucopyranosyloxy)-5'-(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid

Basic Information

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CAS Number

81-27-6

Molecular Formula

C42H38O20

Molecular Weight

862.75 g/mol

Basic Physical Properties

Physical State

Brown powder

Melting Point

200oC-240oC

Boiling Point

1144.8°C at 760 mmHg

Density

1.7430

Flash Point

348.6°C

Solubility

less than 1 mg/mL at 66° F (NTP, 1992)

Refractive Index

1.762

Specific Rotation

D20 -164° (c = 0.1 in 60% acetone); D20 -147° (c = 0.1 in 70% acetone); D20 -24° (c = 0.2 in 70% dioxane)

SMILES

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c1cc2c(c(c1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)c4c(cc(cc4O)C(=O)O)[C@@H]2[C@@H]5c6cccc(c6C(=O)c7c5cc(cc7O)C(=O)O)OC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

InChI

InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42?/m1/s1

InChIKey

IPQVTOJGNYVQEO-GTCVFCFLSA-N

LogP

-1.0956

Topological Polar Surface Area

347.96000000000004 Å²

Hydrogen Bond Donor/Acceptor

12 / 20

Complexity

1550

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Sennoside A
[9,9'-Bianthracene]-2,2'-dicarboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-,(9R,9'R)-
GLYSENNIDE
SENNOSIDE A(AS) PrintBack
Glysennid
PURSENNID
PURSENNIDE
SENNOSIDA
SENNOSIDE
Tomato juice
[ "" ]
Senna extract
Senokot
Sennoside-A
2F1O30GVXH
C42H38O20
SENNA
Sennalax
Gentlax
Glaxenna
Senolax
Dosaflex
Moivat
Exprep
Amyran
Senan
Sennae folium
Black Draught
NSC112929
Tisasen A
Senna (powdered)

MDL Number

MFCD00151527

FAQ

What is (9R,9'R)-5-(beta-D-Glucopyranosyloxy)-5'-(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid (CAS: 81-27-6)?

This compound is a complex glycoside derivative of bianthracene, featuring beta-D-glucopyranosyloxy groups at the 5 and 5' positions, along with hydroxyl and dioxo functionalities. Its molecular structure includes two anthracene rings connected via a bridging oxygen, with glucose moieties attached, making it a specialized organic molecule used in advanced chemical research. The CAS number 81-27-6 confirms its unique identification in chemical databases.

What are the main uses of (9R,9'R)-5-(beta-D-Glucopyranosyloxy)-5'-(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid (CAS: 81-27-6)?

This compound is primarily used in pharmaceutical research for studying biological activity and as a precursor in synthetic chemistry. Its unique structure may also find applications in drug development and functional material design. The CAS number 81-27-6 is relevant for identifying its use in specialized chemical applications and scientific studies.

Is (9R,9'R)-5-(beta-D-Glucopyranosyloxy)-5'-(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid (CAS: 81-27-6) safe?

Safety data for this compound is limited, but general handling precautions apply. It should be used in well-ventilated areas with appropriate protective equipment. The CAS number 81-27-6 is used to reference its safety profile in chemical regulations, and while no specific toxicity is widely documented, standard lab safety practices are recommended for its use.

How should (9R,9'R)-5-(beta-D-Glucopyranosyloxy)-5'-(D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid (CAS: 81-27-6) be stored?

Store this compound in a cool, dry, and dark environment to maintain stability. Keep it in a sealed container to prevent moisture ingress and ensure it is protected from light exposure. The CAS number 81-27-6 is critical for tracking storage requirements, and it should be kept away from incompatible substances to preserve its chemical integrity.