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CAS No.: | 51411-23-5 |
---|---|
Name: | 1-O-alpha-D-glucopyranosyl-D-fructose |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H22O11 |
Molecular Weight: | 342.3 |
Synonyms: | 1-O-a-D-Glucosylfructose;Mildear;Mildear 75;Trehalulose;1-O-α-D-glucopyranosyl-D-fructose; |
EINECS: | 257-183-7 |
Density: | 1.69 g/cm3 |
Boiling Point: | 780.1 °C at 760 mmHg |
Flash Point: | 290.8 °C |
PSA: | 197.37000 |
LogP: | -5.55300 |
Conditions | Yield |
---|---|
With α-glucosidase-substance from yeast |
Conditions | Yield |
---|---|
With trehalose synthase from Thermomonospora curvata DSM 43183 In aq. phosphate buffer at 30℃; for 0.5h; pH=6.5; Kinetics; Enzymatic reaction; |
Conditions | Yield |
---|---|
With sucrose isomerase In aq. phosphate buffer at 30℃; for 0.333333h; pH=6; Kinetics; pH-value; Temperature; Enzymatic reaction; |
D-2-deoxyglucose
Sucrose
A
2-deoxy-maltose
G
D-turanose
H
1-O-α-D-glucopyranosyl-β-D-fructose
Conditions | Yield |
---|---|
With recombinant amylosucrase from Neisseriapolysaccharea In aq. buffer at 35℃; Enzymatic reaction; |
1-O-α-D-glucopyranosyl-β-D-fructose
A
α-D-glucopyranosyl-(1->6)-D-gulitol
B
1-O-α-D-glucopyranosyl-D-mannitol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In water at 37℃; for 4h; Reduction; |
1-O-α-D-glucopyranosyl-β-D-fructose
(2R)-1-O-α-D-glucosylglycerol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: sodium borohydride / H2O / 4 h / 37 °C 2: lead tetraacetate; acetic acid / 20 °C 3: sodium borohydride / H2O / 4 h / 37 °C View Scheme |
1-O-α-D-glucopyranosyl-β-D-fructose
(S)-2-Hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-propionaldehyde
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium borohydride / H2O / 4 h / 37 °C 2: lead tetraacetate; acetic acid / 20 °C View Scheme |
1-O-α-D-glucopyranosyl-β-D-fructose
(R)-2-Hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-propionaldehyde
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium borohydride / H2O / 4 h / 37 °C 2: lead tetraacetate; acetic acid / 20 °C View Scheme |
1-O-α-D-glucopyranosyl-β-D-fructose
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: sodium borohydride / H2O / 4 h / 37 °C 2: lead tetraacetate; acetic acid / 20 °C 3: sodium borohydride / H2O / 4 h / 37 °C View Scheme |
D-Fructose
D-Glucose
Sucrose
isomaltose
1-O-α-D-glucopyranosyl-β-D-fructose
isomaltulose
A
α-D-glucopyranosyl-(1->6)-D-gulitol
B
1-O-α-D-glucopyranosyl-D-mannitol
C
mannitol
D
D-sorbitol
E
isomaltitol
Conditions | Yield |
---|---|
With hydrogen; nickel In water at 20 - 130℃; under 22502.3 Torr; Product distribution / selectivity; Autoclave; |
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The D-Fructose, 1-O-a-D-glucopyranosyl-, with the CAS registry number 51411-23-5, is also known as Trehalulose. Its EINECS number is 257-183-7. This chemical's molecular formula is C12H22O11 and molecular weight is 342.3. What's more, its systematic name is 1-O-α-D-glucopyranosyl-D-fructose.
Physical properties of D-Fructose, 1-O-a-D-glucopyranosyl- are: (1)ACD/LogP: -3.49; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.49; (4)ACD/LogD (pH 7.4): -3.49; (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: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 109.37 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 71.26 cm3; (15)Molar Volume: 202 cm3; (16)Polarizability: 28.25×10-24cm3; (17)Surface Tension: 105 dyne/cm; (18)Density: 1.69 g/cm3; (19)Flash Point: 290.8 °C; (20)Enthalpy of Vaporization: 129.39 kJ/mol; (21)Boiling Point: 780.1 °C at 760 mmHg; (22)Vapour Pressure: 4.14E-28 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1
(3)InChIKey: NMELTECMHKKXLF-DGQJZECASA-N