(Q27463683)

1-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-5-Nitro-1h-Indole (English)

19 October 2016

chemical formula

C₁₃H₁₇N₂O₁₄P₃

1 reference

1-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-5-Nitro-1h-Indole (English)

19 October 2016

canonical SMILES

C1C(C(OC1N2C=CC3=C2C=CC(=C3)[N+](=O)[O-])COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

1 reference

1-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-5-Nitro-1h-Indole (English)

19 October 2016

isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC3=C2C=CC(=C3)[N+](=O)[O-])COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

1 reference

1-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-5-Nitro-1h-Indole (English)

InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-5-9(15(17)18)1-2-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

1-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-5-Nitro-1h-Indole (English)

JJJBDAFRCKSXDR-YNEHKIRRSA-N

19 October 2016

InChIKey

1 reference

1-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-5-Nitro-1h-Indole (English)

19 October 2016

1 reference

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-5-nitro-1H-indole (English)

19 October 2016

2 references

1-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-5-Nitro-1h-Indole (English)

matched by identifier from

19 October 2016

InChIKey

JJJBDAFRCKSXDR-YNEHKIRRSA-N

1 reference

0 references

1 reference

2OYQ (English)

19 October 2016

1 reference

2OZM (English)

19 October 2016

1 reference

3RSR (English)

19 October 2016

1 reference

3T3F (English)