Home >> Chemicals Listing >> hot product list by 4  

4H-1-Benzopyran-4-one,8-[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)- (64820-99-1)

Identification
Name:4H-1-Benzopyran-4-one,8-[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
Synonyms:2''-O-Rhamnosylvitexin;2''-Rhamnosyl-vitexin;Apigenin-8-C-a-L-rhamnopyranosyl-(1?;2)-b-D-glucopyranoside];Vitexin 2''-O-rhamnoside;Vitexin 2''-rhamnoside;Vitexin-2 -O-rhamnoside;
CAS:64820-99-1
Molecular Formula: C27H30O14
Molecular Weight: 578.5187
InChI: InChI=1/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1
Molecular Structure: (C27H30O14) 2''-O-Rhamnosylvitexin;2''-Rhamnosyl-vitexin;Apigenin-8-C-a-L-rhamnopyranosyl-(1?;2)-b-D-glucopyrano...
Properties
Density:1.74 g/cm3
Refractive index:1.751
Specification:

The Vitexin-2-O-rhamnoside with cas registry number of 64820-99-1, belongs to the following product categorie: Miscellaneous Natural Products. It has the systematic name of (1S)-1,5-anhydro-2-O-(6-deoxy-beta-D-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucito.

Physical properties about this chemical are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 12.78; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 204.65; (8)ACD/KOC (pH 7.4): 6.27; (9)#H bond acceptors: 14; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 236.06 Å2; (13)Index of Refraction: 1.751; (14)Molar Refractivity: 135.12 cm3; (15)Molar Volume: 331.2 cm3; (16)Polarizability: 53.56×10-24cm3; (17)Surface Tension: 114.8 dyne/cm; (18)Enthalpy of Vaporization: 136.87 kJ/mol; (19)Vapour Pressure: 9.4E-35 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Oc1ccc(cc1)C\2=C\C(=O)c3c(O)cc(O)c(c3O/2)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O;
(2)InChI: InChI=1/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16-,19-,20-,21+,22+,23+,25+,26-,27+/m1/s1;
(3)InChIKey: LYGPBZVKGHHTIE-NQQFNCMQBP;
(4)Std. InChI: InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16-,19-,20-,21+,22+,23+,25+,26-,27+/m1/s1;
(5)Std. InChIKey: LYGPBZVKGHHTIE-NQQFNCMQSA-N

Safety Data
 

Other Product