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CAS No.: | 23666-13-9 |
---|---|
Name: | VICENIN |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C27H30 O15 |
Molecular Weight: | 594.526 |
Synonyms: | Vicenin(7CI,8CI); 6,8-Di-C-glucosylapigenin; 6,8-Di-C-b-D-glucopyranosylapigenin; 6,8-Di-C-b-glucosylapigenin; Apigenin6,8-bis(C-b-D-glucopyranoside); Apigenin6,8-di-C-D-glucoside; Apigenin 6,8-di-C-b-D-glucoside; Apigenin-6,8-di-C-b-D-glucopyranoside; Vicenin 2;Vicenin II; Violantin |
Density: | 1.758g/cm3 |
Melting Point: | >250 °C (decomp) |
Boiling Point: | 974.7ºC at 760 mmHg |
Flash Point: | 323.7ºC |
PSA: | 271.20000 |
LogP: | -2.39340 |
Molecular Structure of Vicenin-2 (CAS NO.23666-13-9):
IUPAC Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular Formula: C27H30O15
Molecular Weight: 594.52
CAS Registry Number: 23666-13-9
XLogP3-AA: -2.3
H-Bond Donor: 11
H-Bond Acceptor: 15
Index of Refraction: 1.748
Molar Refractivity: 137.56 cm3
Molar Volume: 338.1 cm3
Surface Tension: 110.4 dyne/cm
Density: 1.758 g/cm3
Flash Point: 323.7 °C
Enthalpy of Vaporization: 148.78 kJ/mol
Boiling Point: 974.7 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: O=C2\C=C(/Oc1c(c(O)c(c(O)c12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)c5ccc(O)cc5
InChI: InChI=1/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
InChIKey: FIAAVMJLAGNUKW-VQVVXJKKBU
Vicenin-2 (CAS NO.23666-13-9), its Synonyms are 4H-1-Benzopyran-4-one, 6,8-di-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)- ; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one ; Vicenin(7CI,8CI) ; 6,8-Di-C-glucosylapigenin ; 6,8-Di-C-b-D-glucopyranosylapigenin ; Apigenin 6,8-di-C-b-D-glucoside ; Apigenin-6,8-di-C-b-D-glucopyranoside .