Structural formula
| Business number | 02BJ |
|---|---|
| Molecular formula | C12H22O12 |
| Molecular weight | 358.3 |
| label |
Nicergoline chart, 4-O-beta-d-galactopyranosyl-d-gluconic acid |
Numbering system
CAS number:96-82-2
MDL number:MFCD00078147
EINECS number:202-538-3
RTECS number:None
BRN number:95054
PubChem number:24896313
Physical property data
1. Characteristics: White to off-white crystalline powder
2. Density (g/mL,20℃): Undetermined
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point (ºC):113- 118
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index:26
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): 22.8
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. Oil and water (octanol/Log value of partition coefficient (water): undeterminedNumber of rotatable chemical bonds: 8
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA):218
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 406
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 9
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: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
LY: 宋体; mso-bidi-font-family: 宋体”>12. 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: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
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