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| CAS No.: | 154-58-5 |
|---|---|
| Name: | 1,5-Anhydro-D-glucitol |
| Molecular Structure: | |
|
|
|
| Formula: | C6H12O5 |
| Molecular Weight: | 164.158 |
| Synonyms: | D-Glucose,1-deoxy- (7CI);Glucitol, 1,5-anhydro-, D- (8CI);Polygalitol (6CI);1,5-Anhydroglucitol;1,5-Anhydrosorbitol;1-Deoxy-D-glucopyranose;Aceritol; |
| EINECS: | 205-829-3 |
| Density: | 1.533 g/cm3 |
| Melting Point: | 142-143 °C |
| Boiling Point: | 376.8 °C at 760 mmHg |
| Flash Point: | 181.7 °C |
| Appearance: | White crystals |
| Hazard Symbols: |
 Xi
|
| Safety: | 24/25 |
| PSA: | 90.15000 |
| LogP: | -2.53980 |
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- 1338660-78-8
1,5-anhydro-2,3,4,6-tetra-O-allyl-D-glucitol
- 154-58-5
1,5-anhydro-D-glucitol
| Conditions | Yield |
|---|---|
| With methanol; palladium dichloride at 60℃; for 8h; | 100% |
- 13137-69-4
1-deoxy-D-glucose tetraacetate
- 154-58-5
1,5-anhydro-D-glucitol
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol at 45℃; for 0.333333h; | 98% |
| With sodium methylate In methanol at 20℃; for 16h; | 92% |
| With methanol; potassium carbonate at 25℃; for 1.5h; | 90% |
- 19159-25-2
sucrose octakis(trimethylsilyl) ether
A
- 69-65-8
mannitol
B
- 50-70-4
D-sorbitol
C
- 154-58-5
1,5-anhydro-D-glucitol
| Conditions | Yield |
|---|---|
| Stage #1: sucrose octakis(trimethylsilyl) ether With bis(pentafluorophenyl)borinic acid; 1,1,3,3-tetramethyldisilazane In chloroform-d1 at 25℃; for 3h; Inert atmosphere; Glovebox; Stage #2: In methanol Inert atmosphere; Glovebox; | A n/a B n/a C 90% |
- 154-58-5
1,5-anhydro-D-glucitol
| Conditions | Yield |
|---|---|
| With triethylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃; for 48h; Reagent/catalyst; | 86% |
- 152840-34-1
1-deoxy-3,4,6-tri-O-benzyl-D-glucopyranose
- 154-58-5
1,5-anhydro-D-glucitol
| Conditions | Yield |
|---|---|
| With hydrogen; palladium dihydroxide In methanol under 2327.2 Torr; for 4h; | 81% |
| Conditions | Yield |
|---|---|
| Stage #1: methyl 2,3,4,6-tetrakis-O-trimethylsilyl-α-D-glucopyranoside With bis(pentafluorophenyl)borinic acid; 1,1,3,3-tetramethyldisilazane In chloroform-d1 at 25℃; for 1.5h; Inert atmosphere; Glovebox; Stage #2: In methanol Inert atmosphere; Glovebox; regioselective reaction; | 81% |
| Conditions | Yield |
|---|---|
| Stage #1: (1R,2R,3S,4R,5R)-fluoro-2,3,4,6-tetra-O-(trimethylsilyl)-α-D-glucopyranoside With bis(pentafluorophenyl)borinic acid; 1,1,3,3-tetramethyldisilazane In chloroform-d1 at 25℃; for 0.3h; Inert atmosphere; Glovebox; Stage #2: In methanol Inert atmosphere; Glovebox; regioselective reaction; | A 9% B 76% |
- 19200-26-1
N,N-dimethyl β-D-glucopyranosyl dithiocarbamate
- 292638-85-8
acrylic acid methyl ester
B
- 154-58-5
1,5-anhydro-D-glucitol
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In water at 75℃; for 1.5h; Reagent/catalyst; Inert atmosphere; stereoselective reaction; | A 72% B 28% |
- 50-70-4
D-sorbitol
A
- 51607-79-5
2,5-anhydro-d-sorbitol
B
- 652-67-5
Isosorbide
C
- 154-58-5
1,5-anhydro-D-glucitol
| Conditions | Yield |
|---|---|
| With Amberlyst-15 at 120℃; under 7.50075 Torr; for 10h; Reagent/catalyst; | A n/a B 71% C n/a |
- 154-58-5
1,5-anhydro-D-glucitol
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In methanol for 2.5h; | 70% |
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Specification
The CAS register number of 1,5-Anhydroglucitol is 154-58-5. It also can be called as D-Glucitol,1,5-anhydro- and the IUPAC name about this chemical is (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol. The molecular formula about this chemical is C6H12O5 and the molecular weight is 164.15. It belongs to the following product categories which include 13C & 2H Sugars; Carbohydrates & Derivatives and so on.
Physical properties about 1,5-Anhydroglucitol are: (1)ACD/LogP: -1.24; (2)ACD/LogD (pH 5.5): -1.24; (3)ACD/LogD (pH 7.4): -1.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.06; (7)ACD/KOC (pH 7.4): 5.06; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 46.15Å2; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 35.66 cm3; (14)Molar Volume: 107 cm3; (15)Polarizability: 14.13x10-24cm3; (16)Surface Tension: 66.8 dyne/cm; (17)Enthalpy of Vaporization: 72.24 kJ/mol; (18)Boiling Point: 376.8 °C at 760 mmHg; (19)Vapour Pressure: 3.21E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]1[C@H](OC[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
(3)InChIKey: MPCAJMNYNOGXPB-SLPGGIOYBT
(4)Std. InChI: InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
(5)Std. InChIKey: MPCAJMNYNOGXPB-SLPGGIOYSA-N