DL-Threonine DL-Threonine
Structural formula
| Business number | 01RD |
|---|---|
| Molecular formula | C4H9NO3 |
| Molecular weight | 119.12 |
| label |
(±)-2-Amino-3-hydroxybutyric acid, (±)-2-Amino-3-hydroxybutyric acid |
Numbering system
CAS number:80-68-2
MDL number:MFCD00063722
EINECS number:201-300-6
RTECS number:None
BRN number:1721647
PubChem number:24900522
Physical property data
1. Physical property data
1. Character: Those containing half a molecule of crystal water are colorless crystals,229-230Decomposed at ℃, odorless, slightly sweet taste
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):244 ℃
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
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17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility:25Solubility in water20.1gram/100 ml. Insoluble in methanol and ethanol (0.07gram/100Milliliters,25℃ ), acetone
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 27.13
2. Molar Volume (m3/mol）：91.1
3. isotonic specific volume (90.2K):253.6
4. Surface Tension (dyne/cm):60.0
5. Polarizability（10-24cm3):10.75
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 83.6
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 93.3
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
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
None yet
Synthesis method
None yet
Purpose
None yet
ont-family: Arial; mso-hansi-font-family: Arial”>5. Molecular property data:
1. Molar refractive index: 27.13
2. Molar Volume (m3/mol）：91.1
3. isotonic specific volume (90.2K):253.6
4. Surface Tension (dyne/cm):60.0
5. Polarizability（10-24cm3):10.75
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 83.6
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 93.3
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
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
None yet
Synthesis method
None yet
Purpose
None yet
0
9. Complexity: 93.3
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
13. Determined number of chemical bond stereocenters: 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