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CAS No.: | 13403-14-0 |
---|---|
Name: | .beta.-D-Fructofuranoside, methyl |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C7H14O6 |
Molecular Weight: | 194.185 |
Synonyms: | Fructofuranoside,methyl, β-D- (6CI,7CI,8CI);2-O-Methyl-β-D-fructofuranose;Methylfructofuranoside;Methyl β-D-fructofuranoside;Methyl β-D-fructoside;β-Methylfructofuranoside; |
Density: | 1.48 g/cm3 |
Boiling Point: | 413.9 °C at 760 mmHg |
Flash Point: | 204.1 °C |
PSA: | 99.38000 |
LogP: | -2.56570 |
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The β-D-Fructofuranoside, methyl, with the CAS registry number 13403-14-0, is also known as Methyl-beta-D-fructoside. This chemical's molecular formula is C7H14O6 and molecular weight is 194.18246. Its IUPAC name is called (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol.
Physical properties of β-D-Fructofuranoside, methyl: (1)ACD/LogP: -0.88; (2)ACD/LogD (pH 5.5): -0.88; (3)ACD/LogD (pH 7.4): -0.88; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.96; (7)ACD/KOC (pH 7.4): 7.96; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 41.97 cm3; (13)Molar Volume: 131.1 cm3; (14)Surface Tension: 70.3 dyne/cm; (15)Density: 1.48 g/cm3; (16)Flash Point: 204.1 °C; (17)Enthalpy of Vaporization: 77.03 kJ/mol; (18)Boiling Point: 413.9 °C at 760 mmHg; (19)Vapour Pressure: 1.4E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1(C(C(C(O1)CO)O)O)CO
(2)Isomeric SMILES: CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO
(3)InChI: InChI=1S/C7H14O6/c1-12-7(3-9)6(11)5(10)4(2-8)13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1
(4)InChIKey: JPHVNZOOBXUCDJ-MVIOUDGNSA-N