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| CAS No.: | 1668-08-2 |
|---|---|
| Name: | L-galactono-1,4-lactone |
| Molecular Structure: | |
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| Formula: | C6H10O6 |
| Molecular Weight: | 178.142 |
| Synonyms: | Galactonicacid, g-lactone, L- (8CI);L-Galactonic acid, g-lactone;L-Galactono-g-lactone;NSC 25282;(3S,4S,5R)-5-((S)-1,2-dihydroxyethyl)-3,4-dihydroxy-dihydrofuran-2(3H)-one; |
| Density: | 1.766 g/cm3 |
| Melting Point: | 134-136 °C |
| Boiling Point: | 467.939 °C at 760 mmHg |
| Flash Point: | 201.545 °C |
| Safety: | 24/25 |
| PSA: | 107.22000 |
| LogP: | -3.01320 |
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Specification
The L-galactono-1,4-lactone, with the CAS registry number 1668-08-2, is also known as L-Galactonic acid, g-lactone. This chemical's molecular formula is C6H10O6 and molecular weight is 178.14. What's more, its systematic name is (3S,4S,5R)-5-[(1S)-1,2-Dihydroxyethyl]-3,4-dihydroxydihydro-2(3H)-furanone.
Physical properties of L-galactono-1,4-lactone are: (1)ACD/LogP: -3.155; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.16; (4)ACD/LogD (pH 7.4): -3.16; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 107.22 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 35.665 cm3; (15)Molar Volume: 100.845 cm3; (16)Polarizability: 14.139×10-24cm3; (17)Surface Tension: 109.34 dyne/cm; (18)Density: 1.766 g/cm3; (19)Flash Point: 201.545 °C; (20)Enthalpy of Vaporization: 84.171 kJ/mol; (21)Boiling Point: 467.939 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]1O
(2)Std. InChI: InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1
(3)Std. InChIKey: SXZYCXMUPBBULW-NEEWWZBLSA-N