22251-85-0
RIBOFLAVIN 5'-(DIHYDROGEN PHOSPHATE), SODIUM SALT
NameRIBOFLAVIN 5'-(DIHYDROGEN PHOSPHATE), SODIUM SALT
FormulaC17 H19 N4 O9 P . 2 Na
1Identification
【Name】
RIBOFLAVIN 5'-(DIHYDROGEN PHOSPHATE), SODIUM SALT
【CAS】
【MDL】
MFCD00148871
【English Synonyms】
【Formula】
C17 H19 N4 O9 P . 2 Na
【MolWeight】
500.31
【Inchi】
InChI=1S/C17H21N4O9P.2Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);;/q;2*+1/p-2/t11-,12+,14-;;/m0../s1
【InChIKey】
InChIKey=QETWICIMTVDVFH-APQIITSESA-L
【SMILES】
Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O.[Na+].[Na+]
【MOL File】
RIBOFLAVIN 5'-(DIHYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:13
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
RIBOFLAVIN 5'-(DIHYDROGEN PHOSPHATE), SODIUM SALT.cml