Picrotoxin Picrotoxin

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:124-87-8

MDL number:MFCD00074824

EINECS number:204-716-6

RTECS number:TJ9100000

BRN number:3894406

PubChem number:24278188

Physical property data

None

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: 3

3. Number of hydrogen bond acceptors: 13

4. Number of rotatable chemical bonds: 2

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):191

7. Number of heavy atoms: 43

8. Surface charge: 0

9. Complexity: 1290

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 11

12. The number of uncertain atomic stereocenters: 5

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

None

Synthesis method

None

Purpose

None

XT-INDENT: -18pt; TEXT-ALIGN: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level1 lfo1; tab-stops: list 54.0pt” align =left>11. Determine the number of atomic stereocenters: 11

12. The number of uncertain atomic stereocenters: 5

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

None

Synthesis method

None

Purpose

None