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| CAS No.: | 72063-39-9 |
|---|---|
| Name: | spinosin |
| Molecular Structure: | |
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| Formula: | C28H32O15 |
| Molecular Weight: | 608.553 |
| Synonyms: | Flavoayamenin;Spinosin; |
| Density: | 1.723 g/cm3 |
| Melting Point: | 149 °C |
| Boiling Point: | 901.408 °C at 760 mmHg |
| Flash Point: | 296.669 °C |
| Safety: | 24/25 |
| PSA: | 249.20000 |
| LogP: | -1.78110 |
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Specification
This chemical is called Spinosin, and its systematic name is 4H-1-Benzopyran-4-one, 6-(2-O-beta-D-glucopyranosyl-beta-D-
glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-. With the molecular formula of C28H32O15, its molecular weight is 608.54. The CAS registry number of this chemical is 72063-39-9.
Other characteristics of the Spinosin can be summarised as followings: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 15; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 245.29 ?2; (13)Index of Refraction: 1.734; (14)Molar Refractivity: 141.496 cm3; (15)Molar Volume: 353.165 cm3; (16)Polarizability: 56.093×10-24cm3; (17)Surface Tension: 110.354 dyne/cm; (18)Density: 1.723 g/cm3; (19)Flash Point: 296.669 °C; (20)Enthalpy of Vaporization: 137.28 kJ/mol; (21)Boiling Point: 901.408 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)22(35)19(14)26-27(24(37)21(34)16(8-29)41-26)43-28-25(38)23(36)20(33)17(9-30)42-28/h2-7,16-17,20-21,23-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1
2.InChIKey: VGGSULWDCMWZPO-ODEMIOGVBB