Thymidine-3',5'-Diphosphate (Q27095033)

ZINC3870886 (English)

[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

4 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₀H₁₆N₂O₁₁P₂

1 reference

ZINC3870886 (English)

4 October 2016

canonical SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)O

1 reference

ZINC3870886 (English)

4 October 2016

isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)OP(=O)(O)O

1 reference

ZINC3870886 (English)

InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8-/m1/s1

4 October 2016

Identifiers

InChI

1 reference

ZINC3870886 (English)

CSNCBOPUCJOHLS-GJMOJQLCSA-N

4 October 2016

InChIKey

1 reference

ZINC3870886 (English)

4 October 2016

1 reference

1-(2-Deoxy-3,5-di-O-phosphono-alpha-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione (English)

4 October 2016

2 references

ZINC3870886 (English)