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

Biochanin A-beta-D-glucoside

Related Products

Hot Products

Name

Biochanin A-beta-D-glucoside

EINECS N/A
CAS No. 5928-26-7 Density 1.545 g/cm3
PSA 159.05000 LogP 0.35290
Solubility N/A Melting Point N/A
Formula C22H22O10 Boiling Point 754.9 °C at 760 mmHg
Molecular Weight 446.411 Flash Point 265.4 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 5928-26-7 (Biochanin A-beta-D-glucoside) Hazard Symbols N/A
Synonyms

Sissotrin(7CI,8CI);5-Hydroxyl ononin;7-b-D-Glucosyl-5,7-dihydroxy-4'-methoxyisoflavone;Biochanin 7-O-glucoside;Biochanin A 7-O-glucoside;Biochanin A 7-O-b-glucoside;Biochanin A 7-glucoside;Biochanin A 7-b-D-glucopyranoside;Biochanin Aglucoside;NSC 289565;Sissotorin;

Article Data 2

Biochanin A-beta-D-glucoside Specification

The IUPAC name of Biochanin A-beta-D-glucoside is 5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one. With the CAS registry number 5928-26-7, it is also named as Sissotrin. The product's category is Iso-Flavones. In addition, its molecular formula is C22H22O10 and its molecular weight is 446.40. Besides, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Biochanin A-beta-D-glucoside can be summarized as: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 2.56; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 63.98; (8)ACD/KOC (pH 7.4): 3.8; (9)H bond acceptors: 10; (10)H bond donors: 5; (11)Freely Rotating Bonds: 10; (12)Polar Surface Area: 100.14 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 108.47 cm3; (15)Molar Volume: 288.7 cm3; (16)Polarizability: 43×10-24cm3; (17)Surface Tension: 77.6 dyne/cm; (18)Density: 1.545 g/cm3; (19)Flash Point: 265.4 °C; (20)Enthalpy of Vaporization: 115.41 kJ/mol; (21)Boiling Point: 754.9 °C at 760 mmHg; (22)Vapour Pressure: 6.05E-24 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C3c4c(O)cc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)cc4O/C=C3/c2ccc(OC)cc2
(2)InChI:InChI=1/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
(3)InChIKey:LFEUICHQZGNOHD-RECXWPGBBV
(4)Std. InChI:InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
(5)Std. InChIKey:LFEUICHQZGNOHD-RECXWPGBSA-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 5928-26-7