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Zincate(2-),bis[L-aspartato(2-)-kN,kO1]-, hydrogen (1:2), (T-4)- (36393-20-1)

Identification
Name:Zincate(2-),bis[L-aspartato(2-)-kN,kO1]-, hydrogen (1:2), (T-4)-
Synonyms:Zincate(2-),bis[L-aspartato(2-)-N,O1]-, dihydrogen, (T-4)-;Zincate(2-), bis[L-aspartato(2-)-kN,kO1]-, dihydrogen, (T-4)- (9CI);L-Aspartic acid, zinccomplex;Oksirich;Unizink 50;Zinc aspartate;Zinc hydroaspartate;
CAS:36393-20-1
EINECS: 253-012-5
Molecular Formula: 2(C4H6NO4).Zn
Molecular Weight: 329.6
InChI: InChI=1/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m10./s1
Molecular Structure: (2(C4H6NO4).Zn) Zincate(2-),bis[L-aspartato(2-)-N,O1]-, dihydrogen, (T-4)-;Zincate(2-), bis[L-aspartato(2-)-kN,kO1]-...
Properties
Density:g/cm3
Specification:

The CAS register number of Zinc dihydrogen di-L-aspartate is 36393-20-1. It also can be called as Zinc (3S)-3-amino-4-hydroxy-4-oxobutanoate and the IUPAC name about this chemical is zinc; (2R)-2-amino-4-hydroxy-4-oxobutanoate; (2S)-2-amino-4-hydroxy-4-oxobutanoate. The molecular formula about this chemical is 2(C4H6NO4).Zn and molecular weight is 329.60. It belongs to the Amino acid salt.

Physical properties about Zinc dihydrogen di-L-aspartate are: (1)ACD/LogP: -0.67; (2)ACD/LogD (pH 5.5): -4.1; (3)ACD/LogD (pH 7.4): -4.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.84Å2; (12)Flash Point: 113.5 °C; (13)Enthalpy of Vaporization: 55.26 kJ/mol; (14)Boiling Point: 264.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00289 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].[O-]C(=O)[C@@H](N)CC(=O)O.[O-]C(=O)[C@H](N)CC(=O)O
(2)InChI: InChI=1/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m10./s1
(3)InChIKey: POEVDIARYKIEGF-XYBLZSPWBS
(4)Std. InChI: InChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m10./s1
(5)Std. InChIKey: POEVDIARYKIEGF-FMHLBKHZSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Agents and Actions, A Swiss Journal of Pharmacology. Vol. 14, Pg. 124, 1984.
 

Safety Data
 

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