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Cas Database

Name	D-Fructose, 1-O-a-D-glucopyranosyl-	EINECS	257-183-7
CAS No.	51411-23-5	Density	1.69 g/cm³
PSA	197.37000	LogP	-5.55300
Solubility	N/A	Melting Point	N/A
Formula	C₁₂H₂₂O₁₁	Boiling Point	780.1 °C at 760 mmHg
Molecular Weight	342.3	Flash Point	290.8 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1-O-a-D-Glucosylfructose;Mildear;Mildear 75;Trehalulose;1-O-α-D-glucopyranosyl-D-fructose;	Article Data	5

D-Fructose, 1-O-a-D-glucopyranosyl- Synthetic route

: 57-48-7
D-Fructose

: 57-50-1
Sucrose

: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

Conditions

Conditions	Yield
With α-glucosidase-substance from yeast

: 57-50-1
Sucrose

A: 57-48-7
D-Fructose

B: 50-99-7
D-glucose

C: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

Conditions

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;

: 57-50-1
Sucrose

A: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

B: 13718-94-0
isomaltulose

Conditions

Conditions	Yield
With sucrose isomerase In aq. phosphate buffer at 30℃; for 0.333333h; pH=6; Kinetics; pH-value; Temperature; Enzymatic reaction;

: 154-17-6
D-2-deoxyglucose

: 57-50-1
Sucrose

A: 58634-81-4, 58634-82-5, 132055-05-1, 132055-06-2
2-deoxy-maltose

B: C60H102O50

C: C54H92O45

D: C48H82O40

E: C42H72O35

F: C36H62O30

G: 547-25-1
D-turanose

H: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

Conditions

Conditions	Yield
With recombinant amylosucrase from Neisseriapolysaccharea In aq. buffer at 35℃; Enzymatic reaction;

...Expand

: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

A: 20942-96-5
α-D-glucopyranosyl-(1->6)-D-gulitol

B: 20942-99-8
1-O-α-D-glucopyranosyl-D-mannitol

Conditions

Conditions	Yield
With sodium tetrahydroborate In water at 37℃; for 4h; Reduction;

: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

: 19432-18-9
(2R)-1-O-α-D-glucosylglycerol

Conditions

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

: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

: 266316-89-6
(S)-2-Hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-propionaldehyde

Conditions

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

: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

: 266316-91-0
(R)-2-Hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-propionaldehyde

Conditions

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

: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

: (2S)-1-O-α-O-D-glucosylglycerol

Conditions

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

: 57-48-7
D-Fructose

: 2280-44-6
D-Glucose

: 57-50-1
Sucrose

: 499-40-1
isomaltose

: 51411-23-5
1-O-α-D-glucopyranosyl-β-D-fructose

: 13718-94-0
isomaltulose

A: 20942-96-5
α-D-glucopyranosyl-(1->6)-D-gulitol

B: 20942-99-8
1-O-α-D-glucopyranosyl-D-mannitol

C: 69-65-8
mannitol

D: 50-70-4
D-sorbitol

E: 534-73-6
isomaltitol

Conditions

Conditions	Yield
With hydrogen; nickel In water at 20 - 130℃; under 22502.3 Torr; Product distribution / selectivity; Autoclave;

...Expand

D-Fructose, 1-O-a-D-glucopyranosyl- Specification

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

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