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| CAS No.: | 31511-30-5 |
|---|---|
| Name: | 3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, tris(2-hydroxyethyl) ether |
| Molecular Structure: | |
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| Formula: | C33H42O19 |
| Molecular Weight: | 742.68 |
| Synonyms: | 5,7-Bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; |
| EINECS: | 250-670-5 |
| Density: | 1.65 g/cm3 |
| Boiling Point: | 1075 °C at 760 mmHg |
| Flash Point: | 337.3 °C |
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Specification
The 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, tris(2-hydroxyethyl) ether has the CAS registry number 31511-30-5. Its EINECS number is 250-670-5. This chemical's molecular formula is C33H42O19 and molecular weight is 742.68. What's more, its systematic name is 5,7-Bis(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one.
Physical properties of 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one are: (1)# of Rule of 5 Violations: 3; (2)#H bond acceptors: 19; (3)#H bond donors: 10; (4)#Freely Rotating Bonds: 25; (5)Polar Surface Area: 293.21 Å2; (6)Index of Refraction: 1.689; (7)Molar Refractivity: 171.18 cm3; (8)Molar Volume: 447.9 cm3; (9)Polarizability: 67.86×10-24 cm3; (10)Surface Tension: 100.8 dyne/cm; (11)Density: 1.65 g/cm3; (12)Flash Point: 337.3 °C; (13)Enthalpy of Vaporization: 165.11 kJ/mol; (14)Boiling Point: 1075 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCOc1ccc(cc1O)C=4Oc5cc(OCCO)cc(OCCO)c5C(=O)C=4OC3OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C3O
(2)InChI: InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-19(47-9-6-36)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(17(37)10-15)46-8-5-35/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3
(3)InChIKey: OEKBFEWOXPXFSB-UHFFFAOYSA-N