China (Mainland)
alpha-D-Glucose pentaacetate CAS NO.3891-59-6
- Min.Order: 0 Metric Ton
- Payment Terms: T/T
- Product Details
Keywords
- 2,3,4,5,6-Penta-O-acetyl-D-glucose
- Penta-O-acetyl-aldehydo-D-glucose
- Penta-O-acetyl-aldehydo-D-glucose
Quick Details
- ProName: alpha-D-Glucose pentaacetate
- CasNo: 3891-59-6
- Application: The alpha-D-Glucose pentaacetate is an...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The alpha-D-Glucose pentaacetate is an...
- LimitNum: 0 Metric Ton
Superiority
The alpha-D-Glucose pentaacetate is an organic compound with the formula C16H22O11. The IUPAC name of this chemical is [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate. With the CAS registry number 3891-59-6, it is also named as 1,2,3,4,6-Penta-O-acetyl-a-D-glucopyranose.
Physical alpha-D-Glucose pentaacetate are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.15; (6)ACD/BCF (pH 7.4): 11.15; (7)ACD/KOC (pH 5.5): 195.56; (8)ACD/KOC (pH 7.4): 195.56; (9)#H bond acceptors: 11; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 140.73 Å2; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 85 cm3; (14)Molar Volume: 298 cm3; (15)Polarizability: 33.69×10-24cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.3 g/cm3; (18)Flash Point: 188.1 °C; (19)Enthalpy of Vaporization: 69.09 kJ/mol; (20)Boiling Point: 434.8 °C at 760 mmHg; (21)Vapour Pressure: 9.23E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)
(2)InChI: InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1
(3)InChIKey: LPTITAGPBXDDGR-LJIZCISZBW
(4)Std. InChI: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1
(5)Std. InChIKey: LPTITAGPBXDDGR-LJIZCISZSA-N
Details
The alpha-D-Glucose pentaacetate is an organic compound with the formula C16H22O11. The IUPAC name of this chemical is [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate. With the CAS registry number 3891-59-6, it is also named as 1,2,3,4,6-Penta-O-acetyl-a-D-glucopyranose.
Physical alpha-D-Glucose pentaacetate are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.15; (6)ACD/BCF (pH 7.4): 11.15; (7)ACD/KOC (pH 5.5): 195.56; (8)ACD/KOC (pH 7.4): 195.56; (9)#H bond acceptors: 11; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 140.73 Å2; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 85 cm3; (14)Molar Volume: 298 cm3; (15)Polarizability: 33.69×10-24cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.3 g/cm3; (18)Flash Point: 188.1 °C; (19)Enthalpy of Vaporization: 69.09 kJ/mol; (20)Boiling Point: 434.8 °C at 760 mmHg; (21)Vapour Pressure: 9.23E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)
(2)InChI: InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1
(3)InChIKey: LPTITAGPBXDDGR-LJIZCISZBW
(4)Std. InChI: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1
(5)Std. InChIKey: LPTITAGPBXDDGR-LJIZCISZSA-N