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Name |
L-Alanine,(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl- |
EINECS | N/A |
CAS No. | 35597-43-4 | Density | 1.33 g/cm3 |
PSA | 182.29000 | LogP | -0.21060 |
Solubility | N/A | Melting Point |
159-161 C |
Formula | C11H22N3O6P | Boiling Point | 793.2 °C at 760 mmHg |
Molecular Weight | 323.286 | Flash Point | 433.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
L-Alanine,4-(hydroxymethylphosphinyl)-L-2-aminobutanoyl-L-alanyl-;Antibiotic SF 1293;Bialaphos;Bilanafos;Bilanaphos;Herby;Phosphinothricin-alanyl-alanine;Phosphinothricyl-alanyl-alanine; |
Article Data | 1 |
The L-Alanine,(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-, with the CAS registry number 35597-43-4, has the systematic name of N-{(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl}-L-alanyl-L-alanine. It should be stored at -4°C. And the molecular formula of the chemical is C11H22N3O6P.
The characteristics of L-Alanine,(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl- are as followings: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 1; (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: 9; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 106.27 Å2; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 73.64 cm3; (13)Molar Volume: 243 cm3; (14)Polarizability: 29.19×10-24cm3; (15)Surface Tension: 56.9 dyne/cm; (16)Density: 1.33 g/cm3; (17)Flash Point: 433.5 °C; (18)Enthalpy of Vaporization: 125.4 kJ/mol; (19)Boiling Point: 793.2 °C at 760 mmHg; (20)Vapour Pressure: 1.32E-27 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCP(=O)(O)C)C)C
(2)InChI: InChI=1/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1
(3)InChIKey: GINJFDRNADDBIN-FXQIFTODBR
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 80mg/kg (80mg/kg) | "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 223, 1980. | |
mouse | LD50 | oral | 500mg/kg (500mg/kg) | "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 223, 1980. |