Sennoside A sennoside A

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:81-27-6

MDL number:MFCD00151527

EINECS number:201-339-9

RTECS number:None

BRN number:5723746

PubChem number:24885863

Physical property data

1. Properties: yellow flaky crystals. It is composed of dextro-ligand sennidin A (Sennidin A) and D-glucose. It can slowly isomerize to sennoside B in sodium bicarbonate solution at 80°C.

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

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

4. Melting point (ºC): 200～240

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

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): [ α]D20 -164° (C=0.1, in 60% acetone), -147° (C=0.1, in 70% acetone), -24° (C=0.2, in 70% dioxane)

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

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

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

19. Solubility: Soluble in sodium bicarbonate aqueous solution, slightly soluble in methanol, Diethylene glycol monoethyl ether, acetone and dioxane are insoluble in water, benzene, ether and chloroform.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 204.15

2. Molar volume (cm³/mol): 494.8

3. Isotonic specific volume (90.2K): 1592.3

4. Surface tension (dyne/cm): 107.1

5. Polarizability (10-24cm3): 80.93

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 12

3. Number of hydrogen bond acceptors: 20

4. Number of rotatable chemical bonds: 9

5. Number of tautomers: 640

6. Topological molecular polar surface area 348

7. Number of heavy atoms: 62

8. Surface charge: 0

9. Complexity: 1550

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 12

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a dry and dark place.

Synthesis method

None yet

Purpose

Biochemical research. Gas chromatography standards.