Pentaric acid,3-carboxy-2,3-dideoxy-, sodium salt (1:3) (1637-73-6)

The CAS register number of Isocitric acid trisodium salt is 1637-73-6. It also can be called as DL-Isocitric acid and the systematic name about this chemical is Trisodium hydrogen 3-carboxylato-2,3-dideoxy-1-hydroxypropane-1,2,3-tricarboxylate.

Physical properties about Isocitric acid trisodium salt are: (1)ACD/LogP: -1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.75; (4)ACD/LogD (pH 7.4): -7.18; (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: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 121.13Ų; (13)Flash Point: 167.4 °C; (14)Enthalpy of Vaporization: 66.3 kJ/mol; (15)Boiling Point: 329.6 °C at 760 mmHg; (16)Vapour Pressure: 1.3E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: Na+].[Na+].[Na+].[O-]C(=O)C(O)C(C(=O)[O-])CC([O-])=O
2.InChI: InChI=1/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3 
3.InChIKey: HWMVXEKEEAIYGB-DFZHHIFOAN
4.Std. InChI: InChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3