(1S)-1-[(1S)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate (Q27460142)

(1s)-1-[(1r)-1-Fluoroethyl]-1,5-Dimethylhexyl Trihydrogen Diphosphate (English)

19 October 2016

chemical formula

C₁₀H₂₃FO₇P₂

1 reference

(1s)-1-[(1r)-1-Fluoroethyl]-1,5-Dimethylhexyl Trihydrogen Diphosphate (English)

19 October 2016

canonical SMILES

CC(C)CCCC(C)(C(C)F)OP(=O)(O)OP(=O)(O)O

1 reference

(1s)-1-[(1r)-1-Fluoroethyl]-1,5-Dimethylhexyl Trihydrogen Diphosphate (English)

19 October 2016

isomeric SMILES

CC(C)CCC[C@@](C)(C(C)F)OP(=O)(O)OP(=O)(O)O

1 reference

(1s)-1-[(1r)-1-Fluoroethyl]-1,5-Dimethylhexyl Trihydrogen Diphosphate (English)

InChI=1S/C10H23FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,14)/t9?,10-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(1s)-1-[(1r)-1-Fluoroethyl]-1,5-Dimethylhexyl Trihydrogen Diphosphate (English)

JUOIVVAWJCVSPX-AXDSSHIGSA-N

19 October 2016

InChIKey

1 reference

(1s)-1-[(1r)-1-Fluoroethyl]-1,5-Dimethylhexyl Trihydrogen Diphosphate (English)

19 October 2016

1 reference

(3S)-2-Fluoro-3,7-dimethyl-3-octanyl trihydrogen diphosphate (English)

19 October 2016

2 references

(1s)-1-[(1r)-1-Fluoroethyl]-1,5-Dimethylhexyl Trihydrogen Diphosphate (English)

matched by identifier from

19 October 2016

InChIKey

JUOIVVAWJCVSPX-AXDSSHIGSA-N

1 reference

0 references

1 reference

2ONH (English)