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CAS No.: | 60816-70-8 |
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Name: | lithium D-gluconate |
Molecular Structure: | |
Formula: | C6H11LiO7 |
Molecular Weight: | 196.16 |
Synonyms: | D-Gluconicacid, monolithium salt (9CI);Lithium gluconate;Lithium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (non-preferred name);D-Gluconic acid lithium salt; |
EINECS: | 262-443-8 |
Density: | 1.763 g/cm3 |
Melting Point: | 131oC |
Boiling Point: | 673.6 °C at 760 mmHg |
Flash Point: | 375.1 °C |
PSA: | 141.28000 |
LogP: | -4.82780 |
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The D-gluconic acid, lithium salt (1:1), with the CAS registry number 60816-70-8, is also known as D-Gluconicacid, monolithium salt. Its EINECS number is 262-443-8. This chemical's molecular formula is C6H11LiO7 and molecular weight is 196.16. What's more, its systematic name is lithium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (non-preferred name).
Physical properties of D-gluconic acid, lithium salt (1:1) are: (1)ACD/LogP: -3.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.88; (4)ACD/LogD (pH 7.4): -6.87; (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: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 83.45 Å2; (13)Flash Point: 375.1 °C; (14)Enthalpy of Vaporization: 113.2 kJ/mol; (15)Boiling Point: 673.6 °C at 760 mmHg; (16)Vapour Pressure: 4.95E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Li+].[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
(2)Std. InChI: InChI=1S/C6H12O7.Li/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1
(3)Std. InChIKey: ZOTSUVWAEYHZRI-JJKGCWMISA-M