(2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid (Q27455183)

(2-{[(2s)-1-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-3-Hydroxypropan-2-Yl]oxy}ethyl)phosphonic Acid (English)

19 October 2016

chemical formula

C₁₀H₁₆N₅O₆P

1 reference

(2-{[(2s)-1-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-3-Hydroxypropan-2-Yl]oxy}ethyl)phosphonic Acid (English)

19 October 2016

canonical SMILES

C1=NC2=C(N1CC(CO)OCCP(=O)(O)O)NC(=NC2=O)N

1 reference

(2-{[(2s)-1-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-3-Hydroxypropan-2-Yl]oxy}ethyl)phosphonic Acid (English)

19 October 2016

isomeric SMILES

C1=NC2=C(N1C[C@@H](CO)OCCP(=O)(O)O)NC(=NC2=O)N

1 reference

(2-{[(2s)-1-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-3-Hydroxypropan-2-Yl]oxy}ethyl)phosphonic Acid (English)

InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(4-16)21-1-2-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(2-{[(2s)-1-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-3-Hydroxypropan-2-Yl]oxy}ethyl)phosphonic Acid (English)

CRTHRZMQPBKEQP-LURJTMIESA-N

19 October 2016

InChIKey

1 reference

(2-{[(2s)-1-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-3-Hydroxypropan-2-Yl]oxy}ethyl)phosphonic Acid (English)

19 October 2016

1 reference

(2-{[(2s)-1-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-3-Hydroxypropan-2-Yl]oxy}ethyl)phosphonic Acid (English)

matched by identifier from

19 October 2016

135567057

1 reference

InChIKey

CRTHRZMQPBKEQP-LURJTMIESA-N

0 references

1 reference

5BSK (English)