Basic Information | Post buying leads | Suppliers |
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 | 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; |
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 .