scyllo-inositol

scyllo-inositol structural formula

Structural formula

Business number 053U
Molecular formula C6H12O6
Molecular weight 180.16
label

1,3,5/2,4,6-Hexahydroxycyclohexane,

DTLET

Numbering system

CAS number:488-59-5

MDL number:MFCD00065455

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24896132

Physical property data

1. Character: Undetermined


2. Density (g/ m3,25/4): Undetermined


3. Relative vapor density (g/cm3,air=1): Undetermined


4. Melting point (ºC):350


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive Index: Undetermined


8. Flash Point (ºF): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Water) logarithm of the partition coefficient: not OK


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1 Molar refractive index:37.21


2 Molar Volumem3/mol)88.3


3 Isotonic specific volume (90.2K):422.7


4 Surface tensiondyne/cm280.5


5 Polarizability(10-24cm314.75

Compute chemical data

1. Hydrophobic parameters Calculate the reference value (XlogP): -3.7


2. Hydrogen Bonding Number of donors: 6


3. Hydrogen Bonding Number of receptors: 6


4. Number of rotatable chemical bonds:0


5. Interchange Number of isomers:


6. Topological molecules Polar surface area (TPSA): 121


7. Heavy Atom Quantity: 12


8. Surface charge :0


9. Complexity :104


10. Number of isotope atoms:0


11. Determine the number of atomic stereocenters:0


12. Uncertain number of atomic stereocenters:0


13. Determine the number of stereocenters of chemical bonds:0


14. Uncertain number of chemical bond stereocenters:0


15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save sealed and placed in a ventilated, dry environment

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/21433

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