Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Alkannin

Related Products

Hot Products

Name

Alkannin

EINECS 208-245-7
CAS No. 517-88-4 Density 1.373g/cm3
PSA 94.83000 LogP 2.12040
Solubility N/A Melting Point 149°
Formula C16H16O5 Boiling Point 567.4 °C at 760 mmHg
Molecular Weight 288.3 Flash Point 311 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 517-88-4 (Alkannin) Hazard Symbols N/A
Synonyms

1,4-Naphthalenedione,5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-;1,4-Naphthalenedione,5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methyl-3-pentenyl]- (9CI);1,4-Naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-(8CI);Alkannin (6CI);(-)-Alkannin;Anchusaacid;NSC 94524;

Article Data 18

Alkannin Specification

The Alkannin is an organic compound with the formula C16H16O5. The IUPAC name of this chemical is 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione. With the CAS registry number 517-88-4, it is also named as 1,4-naphthalenedione, 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methyl-3-penten-1-yl]-. Besides, Alkannin is a natural dye that is obtained from the extracts of Alkanna tinctoria. It is also an antioxidant and has an antimicrobial effect against staphylococcus aureus and Staphylococcus epidermidis.

Physical properties about Alkannin are: (1)ACD/LogP: 4.35; (2)ACD/LogD (pH 5.5): 4.34; (3)ACD/LogD (pH 7.4): 3.85; (4)ACD/BCF (pH 5.5): 1162.77; (5)ACD/BCF (pH 7.4): 378.24; (6)ACD/KOC (pH 5.5): 5404.5; (7)ACD/KOC (pH 7.4): 1758.03; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 61.83 Å2; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 75.86 cm3; (14)Molar Volume: 209.9 cm3; (15)Polarizability: 30.07×10-24cm3; (16)Surface Tension: 65.1 dyne/cm; (17)Density: 1.373 g/cm3; (18)Flash Point: 311 °C; (19)Enthalpy of Vaporization: 89.61 kJ/mol; (20)Boiling Point: 567.4 °C at 760 mmHg; (21)Vapour Pressure: 1.04E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(O)ccc(O)c1C(=O)/C(=C/2)[C@@H](O)C\C=C(/C)C
(2)InChI: InChI=1/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
(3)InChIKey: NEZONWMXZKDMKF-JTQLQIEIBC
(4)Std. InChI: InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
(5)Std. InChIKey:NEZONWMXZKDMKF-JTQLQIEISA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 517-88-4