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
