5'-O-[(S)-hydroxy{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine (Q27464571)

5'-O-[(S)-Hydroxy{[(2r)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)butanoyl]oxy}phosphoryl]adenosine (English)

19 October 2016

chemical formula

C₁₆H₂₅N₅O₁₃P₂

1 reference

5'-O-[(S)-Hydroxy{[(2r)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)butanoyl]oxy}phosphoryl]adenosine (English)

19 October 2016

canonical SMILES

CC(C)(COP(=O)(O)O)C(C(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O

1 reference

5'-O-[(S)-Hydroxy{[(2r)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)butanoyl]oxy}phosphoryl]adenosine (English)

19 October 2016

isomeric SMILES

CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)O

1 reference

5'-O-[(S)-Hydroxy{[(2r)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)butanoyl]oxy}phosphoryl]adenosine (English)

InChI=1S/C16H25N5O13P2/c1-16(2,4-32-35(26,27)28)11(24)15(25)34-36(29,30)31-3-7-9(22)10(23)14(33-7)21-6-20-8-12(17)18-5-19-13(8)21/h5-7,9-11,14,22-24H,3-4H2,1-2H3,(H,29,30)(H2,17,18,19)(H2,26,27,28)/t7-,9-,10-,11+,14-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

5'-O-[(S)-Hydroxy{[(2r)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)butanoyl]oxy}phosphoryl]adenosine (English)

OMCOLJSEXCHENT-FSRKKXLISA-N

19 October 2016

InChIKey

1 reference

5'-O-[(S)-Hydroxy{[(2r)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)butanoyl]oxy}phosphoryl]adenosine (English)

19 October 2016

1 reference

5'-O-[(S)-Hydroxy{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine (English)

19 October 2016

2 references

5'-O-[(S)-Hydroxy{[(2r)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)butanoyl]oxy}phosphoryl]adenosine (English)

matched by identifier from

19 October 2016

InChIKey

OMCOLJSEXCHENT-FSRKKXLISA-N

1 reference

0 references

1 reference

3WDK (English)