Structural formula
Business number | 03JZ |
---|---|
Molecular formula | C27H43NO2 |
Molecular weight | 413.64 |
label |
Solanacetin, Solanum alkali, Australian solanamine, Australian solanine, Qie Jie Ding, alkaloids |
Numbering system
CAS number:126-17-0
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 121.27
2. Molar volume (cm3/mol): 368.3
3. Isotonic specific volume (90.2K ): 956.8
4. Surface tension (dyne/cm): 45.5
5. Polarizability (10-24cm3): 48.07
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 5.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 41.5
7. Number of heavy atoms: 30
8. Surface charge: 0
9. Complexity: 749
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 11
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None