(Q27454017)

(2r)-3-{[(S)-Hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-Diyl Dibutanoate (English)

19 October 2016

chemical formula

C₁₇H₃₃O₁₉P₃

1 reference

(2r)-3-{[(S)-Hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-Diyl Dibutanoate (English)

19 October 2016

canonical SMILES

CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC

1 reference

(2r)-3-{[(S)-Hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-Diyl Dibutanoate (English)

19 October 2016

isomeric SMILES

CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC

1 reference

(2r)-3-{[(S)-Hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-Diyl Dibutanoate (English)

InChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-15-12(20)13(21)16(34-37(23,24)25)17(14(15)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13-,14+,15+,16+,17+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

(2r)-3-{[(S)-Hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-Diyl Dibutanoate (English)

DHAFWWKSHUBGAH-DXOPXGNRSA-N

19 October 2016

InChIKey

1 reference

(2r)-3-{[(S)-Hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-Diyl Dibutanoate (English)

19 October 2016

1 reference

(2R)-3-{[(S)-Hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-1,2-propanediyl dibutanoate (English)

19 October 2016

2 references

(2r)-3-{[(S)-Hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-Diyl Dibutanoate (English)

matched by identifier from

19 October 2016

InChIKey

DHAFWWKSHUBGAH-DXOPXGNRSA-N

1 reference

0 references

1 reference

3W67 (English)

19 October 2016

1 reference

4FYG (English)