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4-Hydroxy-3-methoxymandelic acid

5月 15th, 2024 News

4-Hydroxy-3-methoxymandelic acid structural formula

Structural formula

Business number 016R
Molecular formula C9H10O5
Molecular weight 198.17
label

3-methoxy-4-hydroxymandelic acid,

?,4-Dihydroxy-3-methoxybenzeneacetic acid,

Vanillomandelic acid,

Vanillylmandelic acid,

Vanilmandelic acid,

VMA

Numbering system

CAS number:55-10-7

MDL number:MFCD00004235

EINECS number:200-224-0

RTECS number:None

BRN number:2213227

PubChem ID:None

Physical property data

1. Character:White scaly crystals or powder. It is easy to resinize when heated or exposed to air for a long time.


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


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC):131~133?(decomposition)


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


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


7. Refractive index: undetermined


8. Flashpoint (ºC): 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/ Log value of the partition coefficient (water): not determined


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


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


19. Solubility: Easily soluble in acetone and water, slightly soluble in ether and acetonitrile, slightly soluble in benzene.

Toxicological data

None

Ecological data

None

Molecular structure data


1. Molar refractive index:47.46


2. Molar volume (m3/mol??137.5


3. isotonic specific volume (90.2K):392.7


4. Surface Tension (dyne/cm):70.9


5. Polarizability?10-24cm3):13.00


Compute chemical data

1.   Hydrophobic parameter calculation reference value (XlogP): -0.2


2. Number of hydrogen bond donors: 3


3. Number of hydrogen bond acceptors: 5


4. Number of rotatable chemical bonds: 3


5. Number of tautomers: 3


6. Topological molecular polar surface area (TPSA):87


7. Number of heavy atoms: 14


8. Surface charge: 0


9. Complexity: 205


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


12. The number of uncertain atomic stereocenters: 1


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

None

Storage method

This product should be sealed in0?The following Store dry and away from light.

Synthesis methodLaw

None

Purpose

For biochemical research.

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3,3′,5-triiodo-L-thyronine sodium salt

5月 15th, 2024 News

3,3',5-triiodo-L-thyronine sodium salt structural formula

Structural formula

Business number 016Q
Molecular formula C15H12I3NO4Na
Molecular weight 672.96
label

Triiodothyronine sodium salt,

Liothyronine,

T3, O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine sodium salt

Numbering system

CAS number:55-06-1

MDL number:MFCD00002594

EINECS number:200-223-5

RTECS number:None

BRN number:8179867

PubChem number:24889594

Physical property data

1. Character:Crystal.


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


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC): Undetermined


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


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


7. Refractive Index: Undetermined


8. Flashpoint (ºC): 205


9. Specific optical rotation (º): Undetermined


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


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


12. Saturation 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/Log value of partition coefficient (water): undetermined


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


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


19. Solubility: Undetermined.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):


2. Number of hydrogen bond donors: 2


3. Number of hydrogen bond acceptors: 5


4. Number of rotatable chemical bonds: 5


5. Number of tautomers: 3


6. Topological molecular polar surface area (TPSA):95.6


7. Number of heavy atoms: 24


8. Surface charge: 0


9. Complexity: 408


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 1


12. The number of uncertain 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: 2

Properties and stability

None

Storage method

This product should be sealed in0?Save in a dry place and away from light.

Synthesis method

None

Purpose

Biochemical research. Tissue culture media.

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dihydroxyacetone

5月 14th, 2024 News

Dihydroxyacetone structural formula

Structural formula

Business number 02AU
Molecular formula C3H6O3
Molecular weight 90.08
label

1,3-dihydroxy-2-propanone,

Propane-1,3-diol-2-one,

1,3-Dihydroxy-2-propanon,

1,3-Dihydroxydimethylketone

Numbering system

CAS number:96-26-4

MDL number:None

EINECS number:202-494-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Appearance: White powdery crystal with sweet taste

2. Density (g/mL, 25?): Undetermined

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

4. Melting point (ºC): 75-80

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

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (mmHg,ºC ): Undetermined

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

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined Determined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in organic solvents such as water, ethanol, ether and acetone

Toxicological data

1. Acute toxicity: Rat oral LDLo: 80mg/kg; Rat intraperitoneal LD50: 8750mg/kg; Rabbit intraperitoneal LD: >8mg/kg;

2. Mutagenicity

Mutation of Salmonella typhimurium: 100?g/plate;

Mutation of Salmonella typhimurium: 1mg/plate;

E. coli mutation: 3300?mol/L;

DNA repair of Bacillus subtilis: 2ppm

Ecological data

None

Molecular structure data

1. Molar refractive index: 19.04

2. Molar volume (cm3/mol): 70.1

3. Isotonic specific volume (90.2K ): 190.0

4. Surface tension (dyne/cm): 53.7

5. Polarizability (10-24cm3): 7.55

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

p>

4. Number of rotatable chemical bonds: 2

5.??Number of isomers: 3

6. Topological molecule polar surface area 57.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 44

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Used in organic synthesis, biochemical research, substrate for galactose oxidase, and artificial tanning agent.

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