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CAS No.: | 160801-76-3 |
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Name: | (2S,3S)-3-Amino-2-hydroxyhexanoic acid |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C6H13NO3 |
Molecular Weight: | 147.174 |
Synonyms: | Hexanoicacid, 3-amino-2-hydroxy-, [S-(R*,R*)]-; |
Density: | 1.185 g/cm3 |
Boiling Point: | 337 °C at 760 mmHg |
Flash Point: | 157.6 °C |
PSA: | 83.55000 |
LogP: | 0.25960 |
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The cas register number of (2S,3S)-3-Amino-2-hydroxyhexanoic acid is 160801-76-3. It also can be called as Hexanoic acid,3-amino-2-hydroxy-, (2S,3S)- and the Systematic name about this chemical is (2S,3S)-3-amino-2-hydroxyhexanoic acid.
Physical properties about (2S,3S)-3-Amino-2-hydroxyhexanoic acid are: (1)ACD/LogD (pH 5.5): -2.06; (2)ACD/LogD (pH 7.4): -2.06; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 38.77Å2; (11)Index of Refraction: 1.498; (12)Molar Refractivity: 36.39 cm3; (13)Molar Volume: 124.1 cm3; (14)Polarizability: 14.42x10-24cm3; (15)Surface Tension: 51.8 dyne/cm; (16)Enthalpy of Vaporization: 67.22 kJ/mol; (17)Vapour Pressure: 7.39E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](O)[C@@H](N)CCC
(2)InChI: InChI=1/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m0/s1
(3)InChIKey: OIFGOYXLBOWNGQ-WHFBIAKZBJ
(4)Std. InChI: InChI=1S/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m0/s1
(5)Std. InChIKey: OIFGOYXLBOWNGQ-WHFBIAKZSA-N