62559-74-4
FROXIPROST
Name
FROXIPROST
Formula
C24 H29 F3 O6
MolWeight
470.481
1Identification
【Name】
FROXIPROST
【CAS】
【MDL】
MFCD00868749
【English Synonyms】
【Formula】
C24 H29 F3 O6
【MolWeight】
470.481
【Inchi】
InChI=1S/C24H29F3O6/c1-32-23(31)10-5-3-2-4-9-19-20(22(30)14-21(19)29)12-11-17(28)15-33-18-8-6-7-16(13-18)24(25,26)27/h2,4-8,10-13,17,19-22,28-30H,3,9,14-15H2,1H3/b4-2-,10-5+,12-11+/t17-,19-,20-,21+,22-/m1/s1
【InChIKey】
InChIKey=REFZGTXXBBUTMJ-YDQNNXAVSA-N
【SMILES】
COC(=O)/C=C/C/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COc2cccc(c2)C(F)(F)F)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
FROXIPROST.cml
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