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CAS No.: | 30285-48-4 |
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Name: | ethyl D-glucoside |
Molecular Structure: | |
Formula: | C8H16O6 |
Molecular Weight: | 208.21 |
Synonyms: | Glucoside, ethyl, D-;(2R,3R,4S,5R,6R)-2-Ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;Ethyl D-glucoside; |
EINECS: | 250-112-0 |
Density: | 1.404 g/cm3 |
Boiling Point: | 395.076 °C at 760 mmHg |
Flash Point: | 192.735 °C |
PSA: | 99.38000 |
LogP: | -2.17720 |
The Ethyl glucoside, with the CAS registry number 30285-48-4, is also known as Ethyl D-glucoside. Its EINECS registry number is 250-112-0. This chemical's molecular formula is C8H16O6 and molecular weight is 208.21. What's more, its systematic name is called Ethyl β-D-glucopyranoside.
Physical properties about Ethyl glucoside are: (1)ACD/LogP: -2.169; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.17; (4)ACD/LogD (pH 7.4): -2.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.57; (8)ACD/KOC (pH 7.4): 1.57; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 99.38 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 46.551 cm3; (15)Molar Volume: 148.329 cm3; (16)Polarizability: 18.454×10-24cm3; (17)Surface Tension: 63.899 dyne/cm; (18)Density: 1.404 g/cm3; (19)Flash Point: 192.735 °C; (20)Enthalpy of Vaporization: 74.59 kJ/mol; (21)Boiling Point: 395.076 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(CC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
(2) InChI: InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8-/m1/s1
(3) InChIKey: WYUFTYLVLQZQNH-JAJWTYFOSA-N