2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione (Q27455997)

2-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-6-Methylisoquinoline-1(2h)-Thione (English)

19 October 2016

chemical formula

C₁₅H₂₀NO₁₂P₃S

1 reference

2-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-6-Methylisoquinoline-1(2h)-Thione (English)

19 October 2016

canonical SMILES

CC1=CC2=C(C=C1)C(=S)N(C=C2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

1 reference

2-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-6-Methylisoquinoline-1(2h)-Thione (English)

19 October 2016

isomeric SMILES

CC1=CC2=C(C=C1)C(=S)N(C=C2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

1 reference

2-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-6-Methylisoquinoline-1(2h)-Thione (English)

InChI=1S/C15H20NO12P3S/c1-9-2-3-11-10(6-9)4-5-16(15(11)32)14-7-12(17)13(26-14)8-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-6,12-14,17H,7-8H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t12-,13+,14+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

2-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-6-Methylisoquinoline-1(2h)-Thione (English)

HHAKTXADNAZKDV-BFHYXJOUSA-N

19 October 2016

InChIKey

1 reference

2-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-Beta-D-Erythro-Pentofuranosyl}-6-Methylisoquinoline-1(2h)-Thione (English)

19 October 2016

1 reference

2-{2-Deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methyl-1(2H)-isoquinolinethione (English)

19 October 2016

1 reference