(1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol

Basic Information

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CAS Number

643-12-9

Molecular Formula

C6H12O6

Molecular Weight

180.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

230 °C

Boiling Point

232.96°C (rough estimate)

Density

1.2805 (rough estimate)

Refractive Index

1.5730 (estimate)

SMILES

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[C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)O

InChI

InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1

InChIKey

CDAISMWEOUEBRE-LKPKBOIGSA-N

LogP

-3.834599999999999

Topological Polar Surface Area

121.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

104

Synonyms & References

English

D-chiro-Inositol
D-chiro Inositol
D-(+)-chiro-Inositol
1,2,4
1D-chiro-Inositol
3,5,6-hexahydroxycyclohexane
cis-inositol
cyclohexanehexol
D-Chiro-inositol(DCI)
D-CHIRO-INOSITOL(DISD)
D-Inositol
Scyllo-inositol
myo-inositol
inositol
Muco-Inositol
i-Inositol
epi-Inositol
Allo-inositol
meso-Inositol
1L-Chiro-inositol
Myoinositol
Scyllitol
mesoinositol
Quercinitol
Myoinosite
Dambose
Cyclohexane-1,2,3,4,5,6-hexaol
Neo-inositol
Meat sugar
Cocositol
Inositene

MDL Number

MFCD00272608

Customs Code

29061390

FAQ

What are the physical and chemical properties of (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol (CAS: 643-12-9)?

(1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol, also known as 1,2,3,4,5,6-Cyclohexanetetrol, is a colorless crystalline solid with a molecular weight of approximately 158.23 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is relatively stable under normal conditions but can react with strong acids or bases. It is used in various applications due to its structural properties.

How is (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol (CAS: 643-12-9) typically synthesized?

(1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol can be synthesized via a stereoselective hydrogenation of a suitable isomer of cyclohexanone oxime. Commonly, this process involves the use of a chiral catalyst to achieve high enantioselectivity. The yield is generally around 70-80%, and the purity can be improved through recrystallization.

What industries use (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol (CAS: 643-12-9)?

(1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol is primarily used in the pharmaceutical industry for the synthesis of chiral intermediates and pharmaceuticals. It is also used in the polymer industry for the modification of polymer properties and in the sensor technology for the development of chemical sensors due to its unique structural features.

What precautions should be taken when handling (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol (CAS: 643-12-9)?

When handling (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-Cyclohexanehexol, proper personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and flammable materials. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.