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Name |
D-Galactonic acid |
EINECS | N/A |
CAS No. | 576-36-3 | Density | 1.763 g/cm3 |
PSA | 138.45000 | LogP | -3.49310 |
Solubility | N/A | Melting Point |
122 °C |
Formula | C6H12O7 | Boiling Point | 673.6 °C at 760 mmHg |
Molecular Weight | 196.157 | Flash Point | 375.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Galactonicacid, D- (8CI);(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; |
Article Data | 119 |
The CAS register number of D-Galactonic acid is 576-36-3. It also can be called as 2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid and the systematic name about this chemical is D-galactonic acid. The molecular formula about this chemical is C6H12O7 and the molecular weight is 196.1553.
Physical properties about D-Galactonic acid 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: 72.45Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 38.91 cm3; (15)Molar Volume: 111.2 cm3; (16)Polarizability: 15.42x10-24cm3; (17)Surface Tension: 116.9 dyne/cm; (18)Enthalpy of Vaporization: 113.2 kJ/mol; (19)Boiling Point: 673.6 °C at 760 mmHg; (20)Vapour Pressure: 4.95E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
(2)InChI: InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1
(3)InChIKey: RGHNJXZEOKUKBD-MGCNEYSABT
(4)Std. InChI: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1
(5)Std. InChIKey: RGHNJXZEOKUKBD-MGCNEYSASA-N