517892-05-6
3',4'-DIHYDROXYFLAVONE-4'-BETA-D-GALACTOPYRANOSIDE SODIUM SALT
Name3',4'-DIHYDROXYFLAVONE-4'-BETA-D-GALACTOPYRANOSIDE SODIUM SALT
1Identification
【Name】
3',4'-DIHYDROXYFLAVONE-4'-BETA-D-GALACTOPYRANOSIDE SODIUM SALT
【CAS】
【MDL】
MFCD06796942
【English Synonyms】
【Formula】
C21 H19 O9 . Na
【MolWeight】
438.362
【Inchi】
InChI=1S/C21H20O9.Na/c22-9-17-18(25)19(26)20(27)21(30-17)29-15-6-5-10(7-13(15)24)16-8-12(23)11-3-1-2-4-14(11)28-16;/h1-8,17-22,24-27H,9H2;/q;+1/p-1/t17-,18+,19+,20-,21-;/m1./s1
【InChIKey】
InChIKey=JVPNDXZRUQNYFL-VYVMHGPMSA-M
【SMILES】
c1ccc2c(c1)c(=O)cc(o2)c3ccc(c(c3)[O-])O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O.[Na+]
【MOL File】
3',4'-DIHYDROXYFLAVO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3',4'-DIHYDROXYFLAVONE-4'-BETA-D-GALACTOPYRANOSIDE SODIUM SALT.cml