1-(Hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

Basic Information

View in Editor

CAS Number

22255-40-9

Molecular Formula

C16H24O10

Molecular Weight

376.36 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 Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

No data available

Boiling Point

646.3°C at 760 mmHg

Density

1.6

Flash Point

235.6°C

Solubility

Methanol,Water,DMSO,Acetontrile

Refractive Index

1.633

Vapor Pressure

No data available

SMILES

View in Editor

CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O

InChI

InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)

InChIKey

JNNGEAWILNVFFD-UHFFFAOYSA-N

LogP

-2.2391999999999985

Topological Polar Surface Area

166.14 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

565

Safety Information

View Safety Information

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

Loganic acid
EINECS 244-875-9
CCG-39437
(1S,4AS,6S,7R,7AS)-1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-METHYLCYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID
NCGC00178007-02
NCGC00178007-01
SPBio_002121
Spectrum4_001690
SPECTRUM1504071
SCHEMBL308008
CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1.ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A.ALPHA.,5,6,7,7A.ALPHA.-HEXAHYDRO-6.ALPHA.-HYDROXY-7.ALPHA.-METHYL-
Spectrum5_000340
DivK1c_006639
KBio2_007125
Loganin acid
SpecPlus_000543
(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Spectrum3_001930
(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl
Spectrum_001509
AKOS032962058
(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
CS-0009052
UX3J3KK2UG
KBioGR_001960
C01512
(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
DTXSID80944913
KBio1_001583
MS-26101
BSPBio_003530

MDL Number

MFCD00017417

FAQ

What is 1-(Hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid (CAS: 22255-40-9)?

1-(Hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid is a chemical compound with the CAS number 22255-40-9. It is a hexahydrocycloalkanecarboxylic acid derivative with a hexopyranosyl group attached to the hexahydrocyclopentaphenanthrene ring. This compound is characterized by its hydroxyl, methyl, and carboxylic acid functionalities.

What are the main uses of 1-(Hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid (CAS: 22255-40-9)?

1-(Hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid is primarily used as an intermediate in the synthesis of complex organic molecules, particularly in pharmaceuticals and natural product chemistry. It may also serve as a building block for the development of new compounds with specific biological activities.

Is 1-(Hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid (CAS: 22255-40-9) safe?

1-(Hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid is generally considered safe when handled with proper precautions. However, it should be used in a well-ventilated area, and appropriate personal protective equipment (PPE) such as gloves and safety glasses should be worn. It is important to follow all safety guidelines and hazard communication information provided in the material safety data sheet (MSDS).

How should 1-(Hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid (CAS: 22255-40-9) be stored?

1-(Hexopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid should be stored in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation and ensure purity. Adequate ventilation is crucial to prevent the accumulation of potentially hazardous fumes or vapors, and it should be handled with care to avoid contact with skin and eyes.