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| CAS No.: | 84954-93-8 |
|---|---|
| Name: | ROSARIN |
| Molecular Structure: | |
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| Formula: | C20H28O10 |
| Molecular Weight: | 428.436 |
| Synonyms: | b-D-Glucopyranoside,(2E)-3-phenyl-2-propenyl 6-O-a-L-arabinofuranosyl- (9CI);b-D-Glucopyranoside, 3-phenyl-2-propenyl 6-O-a-L-arabinofuranosyl-, (E)-;Rosarin(glycoside); |
| Density: | 1.483 g/cm3 |
| Boiling Point: | 730.792 °C at 760 mmHg |
| Flash Point: | 395.769 °C |
| Appearance: | Brown fine powder with characteristic odor |
| PSA: | 158.30000 |
| LogP: | -2.02040 |
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Specification
The Rosarin, with the CAS registry number 84954-93-8, is also known as [(E)-3-Phenyl-2-propenyl]6-O-(alpha-L-arabinofuranosyl)-beta-D-glucopyranoside. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C20H28O10 and molecular weight is 428.43. What's more, its systematic name is called (2E)-3-Phenyl-2-propen-1-yl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside.
Physical properties about Rosarin are: (1)ACD/LogP: 2.026; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.42; (6)ACD/BCF (pH 7.4): 20.42; (7)ACD/KOC (pH 5.5): 301.52; (8)ACD/KOC (pH 7.4): 301.51; (9)#H bond acceptors: 10; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 158.3 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 103.384 cm3; (15)Molar Volume: 288.918 cm3; (16)Polarizability: 40.985×10-24 cm3; (17)Surface Tension: 77.90 dyne/cm; (18)Density: 1.483 g/cm3; (19)Flash Point: 395.769 °C; (20)Enthalpy of Vaporization: 111.962 kJ/mol; (21)Boiling Point: 730.792 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O2[C@H](CO[C@@H]1O[C@H]([C@H](O)[C@H]1O)CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2OC\C=C\c3ccccc3
(2) InChI: InChI=1S/C20H28O10/c21-9-12-14(22)17(25)20(29-12)28-10-13-15(23)16(24)18(26)19(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19+,20+/m0/s1
(3) InChIKey: IEBFEMIXXHIISM-YZOUKVLTSA-N