244145-23-1
4-METHYLUMBELLIFERYL MYO-INOSITOL-1-PHOSPHATE, N-METHYL-MORPHOLINE SALT
Name4-METHYLUMBELLIFERYL MYO-INOSITOL-1-PHOSPHATE, N-METHYL-MORPHOLINE SALT
FormulaC16 H18 O8 . C5 H11 N O
1Identification
【Name】
4-METHYLUMBELLIFERYL MYO-INOSITOL-1-PHOSPHATE, N-METHYL-MORPHOLINE SALT
【CAS】
【MDL】
MFCD02683914
【English Synonyms】
【Formula】
C16 H18 O8 . C5 H11 N O
【MolWeight】
439.458
【Inchi】
InChI=1S/C16H18O8.C5H11NO/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-14(21)12(19)11(18)13(20)15(16)22;1-6-2-4-7-5-3-6/h2-5,11-16,18-22H,1H3;2-5H2,1H3/t11-,12-,13+,14-,15-,16-;/m1./s1
【InChIKey】
InChIKey=YAFBMFNZGJYOPJ-STLYBCKASA-N
【SMILES】
Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H]([C@H]3O)O)O)O)O.CN1CCOCC1
【MOL File】
4-METHYLUMBELLIFERYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYLUMBELLIFERYL MYO-INOSITOL-1-PHOSPHATE, N-METHYL-MORPHOLINE SALT.cml