InChI: | InChI=1/C5H9NO4.Na.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1 |
Specification: |
The IUPAC name of L-Glutamic acid, sodiumsalt, hydrate (1:1:1) is sodium (4S)-4-amino-5-hydroxy-5-oxopentanoate hydrate. With the CAS registry number 6106-04-3, it is also named as Monosodium glutamate. The other registry number is 6826-33-1. It is white to off-white powder which is soluble in water. Additionally, this chemical should be stored at the mormal temperature.
The other characteristics of L-Glutamic acid, sodiumsalt, hydrate (1:1:1) can be summarized as: (1)ACD/LogP: -1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.7; (4)ACD/LogD (pH 7.4): -4.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Flash Point: 155.7 °C; (13)Enthalpy of Vaporization: 63.39 kJ/mol; (14)Boiling Point: 333.8 °C at 760 mmHg; (15)Vapour Pressure: 2.55E-05 mmHg at 25°C; (16)Rotatable Bond Count: 4; (17)Exact Mass: 187.045667; (18)MonoIsotopic Mass: 187.045667; (19)Topological Polar Surface Area: 104; (20)Heavy Atom Count: 12; (21)Complexity: 149; (22)Defined Atom StereoCenter Count: 1.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].O=C([O-])CC[C@H](N)C(=O)O.O
2. InChI=1/C5H9NO4.Na.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1
The following are the toxicity data which has been tested.
Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
mouse |
LD50 |
oral |
16400mg/kg (16400mg/kg) |
SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
BEHAVIORAL: ATAXIA |
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 257, 1990. |
rat |
LD50 |
oral |
15800mg/kg (15800mg/kg) |
SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
BEHAVIORAL: ATAXIA |
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 257, 1990. |
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