lactobionic acid

Lactonic acid structural formula

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. Bixuan?Degree (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): undetermined


17. Explosion 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):-5


2. Number of hydrogen bond donors: 9


3. Number of hydrogen bond acceptors: 12


4. Number 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. 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

Storage method

None

Synthesis method

None

Purpose

None

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