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