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Monocalcium di-L-glutamate tetrahydrate

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Name

Monocalcium di-L-glutamate tetrahydrate

EINECS N/A
CAS No. 69704-19-4 Density N/A
PSA 143.20000 LogP -2.96320
Solubility N/A Melting Point N/A
Formula C10H16N2O8•4H2O•Ca Boiling Point 333.8°C at 760 mmHg
Molecular Weight 356.44 Flash Point 155.7°C
Transport Information N/A Appearance N/A
Safety Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 69704-19-4 (L-glutamic acid hemimagnesium salt tetrahydrate) Hazard Symbols N/A
Synonyms

calcium (2S)-2-aminopentanedioate tetrahydrate;L-Glutamic acid,monocalcium salt,tetrahydrate;L-Glutamic acid,calcium salt (2:1),tetrahydrate;Monocalcium di-L-glutamate tetrahydrate;L-Glutamic acid,calcium salt (2:1),tetrahydrate (9CI);Di-L-glutamic acid,monocalcium salt,tetrahydrate,L;

 

Monocalcium di-L-glutamate tetrahydrate Chemical Properties

Molecule structure of Monocalcium di-L-glutamate tetrahydrate (CAS NO.69704-19-4):

IUPAC Name: Calcium (2S)-2-aminopentanedioate tetrahydrate 
Molecular Weight: 257.2525 g/mol
Molecular Formula: C5H15CaNO8 
Boiling Point: 333.8 °C at 760 mmHg
Flash Point: 155.7 °C
Enthalpy of Vaporization: 63.39 kJ/mol
Vapour Pressure: 2.55E-05 mmHg at 25 °C
H-Bond Donor: 5
H-Bond Acceptor: 9
Rotatable Bond Count: 2
Exact Mass: 257.042358
MonoIsotopic Mass: 257.042358
Topological Polar Surface Area: 110
Heavy Atom Count: 15
Complexity: 134
Defined Atom StereoCenter Count: 1
Canonical SMILES: C(CC(=O)[O-])C(C(=O)[O-])N.O.O.O.O.[Ca+2]
Isomeric SMILES: C(CC(=O)[O-])[C@@H](C(=O)[O-])N.O.O.O.O.[Ca+2]
InChI: InChI=1S/C5H9NO4.Ca.4H2O/c6-3(5(9)10)1-2-4(7)8;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;+2;;;;/p-2/t3-;;;;;/m0...../s1
InChIKey of Monocalcium di-L-glutamate tetrahydrate (CAS NO.69704-19-4): IQKVLESJVVDHHA-NBINMXDDSA-L

Monocalcium di-L-glutamate tetrahydrate Toxicity Data With Reference

1.    

orl-rat LD50:14,700 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 21 (1990),257.
2.    

orl-mus LD50:13,300 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 21 (1990),257.

Monocalcium di-L-glutamate tetrahydrate Safety Profile

Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx.

Monocalcium di-L-glutamate tetrahydrate Specification

 Monocalcium di-L-glutamate tetrahydrate (CAS NO.69704-19-4) is also named as CCRIS 4215 ; Di-L-glutamic acid, monocalcium salt, tetrahydrate, L- ; L-Glutamic acid, calcium salt (2:1), tetrahydrate (9CI) ; L-Glutamic acid, monocalcium salt, tetrahydrate .

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