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Name |
D-Gluconic acid, 6-O-α-D-galactopyranosyl- |
EINECS | N/A |
CAS No. | 21675-38-7 | Density | 1.79 g/cm3 |
PSA | 217.60000 | LogP | -5.66890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H22O12 | Boiling Point | 857.8°Cat760mmHg |
Molecular Weight | 358.299 | Flash Point | 316.8°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Melibionicacid (6CI,7CI,8CI);6-O-α-D-Galactopyranosyl-D-gluconic acid;Potassium melibionate;Melibionicacid; |
The D-Gluconic acid, 6-O-α-D-galactopyranosyl-, with the CAS registry number 21675-38-7, is also known as Melibionic acid. This chemical's molecular formula is C12H22O12 and molecular weight is 358.3. What's more, its systematic name is 6-O-α-D-galactopyranosyl-D-gluconic acid.
Physical properties of D-Gluconic acid, 6-O-α-D-galactopyranosyl- are: (1)ACD/LogP: -4.35; (2)# of Rule of 5 Violations: 2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 12; (8)#H bond donors: 9; (9)#Freely Rotating Bonds: 16; (10)Polar Surface Area: 118.6 Å2; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 72.77 cm3; (13)Molar Volume: 200 cm3; (14)Polarizability: 28.85×10-24cm3; (15)Surface Tension: 119.8 dyne/cm; (16)Density: 1.79 g/cm3; (17)Flash Point: 316.8 °C; (18)Enthalpy of Vaporization: 141.7 kJ/mol; (19)Boiling Point: 857.8 °C at 760 mmHg; (20)Vapour Pressure: 2.79E-34 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[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1S/C12H22O12/c13-1-4-6(16)8(18)10(20)12(24-4)23-2-3(14)5(15)7(17)9(19)11(21)22/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7+,8+,9-,10-,12+/m1/s1
(3)InChIKey: MUUBPEHTAPZMCA-RQPDCMAESA-N
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