-
Name
GINKGETIN
- EINECS
- CAS No. 481-46-9
- Article Data1
- CAS DataBase
- Density 1.506 g/cm3
- Solubility
- Melting Point 336 °C
- Formula C32H22O10
- Boiling Point 863.7 °C at 760 mmHg
- Molecular Weight 566.521
- Flash Point 287.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3''',8-Biflavone,4',5,5'',7-tetrahydroxy-4''',7''-dimethoxy- (7CI,8CI);7,4'-Dimethylamentoflavone;Amentoflavone 7'',4'''-dimethyl ether;Ginkgetin;Ginkgotin;
- PSA 159.80000
- LogP 5.74000
Ginkgetin Specification
The Ginkgetin with the CAS number 481-46-9 is also called 7,4'-Dimethylamentoflavone. The IUPAC name is 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one. Its molecular formula is C32H22O10.
The properties of the chemical are: (1)ACD/LogP: 4.27; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 107.98Å2; (7)Index of Refraction: 1.714; (8)Molar Refractivity: 147.63 cm3; (9)Molar Volume: 376.1 cm3; (10)Polarizability: 58.52×10-24cm3; (11)Surface Tension: 72.1 dyne/cm; (12)Enthalpy of Vaporization: 129.8 kJ/mol; (13)Vapour Pressure: 2.28×10-31 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C(/Oc2cc(OC)cc(O)c12)c6cc(c5c(O)cc(O)c3c5O/C(=C\C3=O)c4ccc(O)cc4)c(OC)cc6
(2)InChI: InChI=1/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3
(3)InChIKey: AIFCFBUSLAEIBR-UHFFFAOYAT
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