552829-96-6
(+)-1,2-BIS[(2S,5S)-2,5-DIMETHYL-(3S,4S)-3,4-DIHYDROXYPHOSPHOLANO]BENZENE BIS(TRIFLUOROMETHANESULFONATE)SALT
Name(+)-1,2-BIS[(2S,5S)-2,5-DIMETHYL-(3S,4S)-3,4-DIHYDROXYPHOSPHOLANO]BENZENE BIS(TRIFLUOROMETHANESULFONATE)SALT
FormulaC18 H28 O4 P2 . 2 C H F3 O3 S
1Identification
【Name】
(+)-1,2-BIS[(2S,5S)-2,5-DIMETHYL-(3S,4S)-3,4-DIHYDROXYPHOSPHOLANO]BENZENE BIS(TRIFLUOROMETHANESULFONATE)SALT
【CAS】
【MDL】
MFCD04974230
【English Synonyms】
【Formula】
C18 H28 O4 P2 . 2 C H F3 O3 S
【MolWeight】
670.515
【Inchi】
InChI=1S/C18H28O4P2.2CHF3O3S/c1-9-15(19)16(20)10(2)23(9)13-7-5-6-8-14(13)24-11(3)17(21)18(22)12(24)4;2*2-1(3,4)8(5,6)7/h5-12,15-22H,1-4H3;2*(H,5,6,7)/t9-,10-,11-,12-,15+,16+,17+,18+;;/m0../s1
【InChIKey】
InChIKey=IYCCJLQFMSHTLK-DOJUIDEBSA-N
【SMILES】
C[C@H]1[C@H]([C@@H]([C@@H](P1c2ccccc2P3[C@H]([C@H]([C@@H]([C@@H]3C)O)O)C)C)O)O.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O
【MOL File】
(+)-1,2-BIS[(2S,5S)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(+)-1,2-BIS[(2S,5S)-2,5-DIMETHYL-(3S,4S)-3,4-DIHYDROXYPHOSPHOLANO]BENZENE BIS(TRIFLUOROMETHANESULFONATE)SALT.cml