5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine (Q27467922)

SCHEMBL8420565 (English)

19 October 2016

chemical formula

C₁₀H₁₇N₆O₁₂P₃

1 reference

SCHEMBL8420565 (English)

19 October 2016

canonical SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O

1 reference

SCHEMBL8420565 (English)

19 October 2016

isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O

1 reference

SCHEMBL8420565 (English)

InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-29(19,20)15-30(21,22)28-31(23,24)25/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)(H2,23,24,25)(H3,15,19,20,21,22)/t4-,6-,7-,10-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL8420565 (English)

WUPFAKUEHUVIDK-KQYNXXCUSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL8420565 (English)

19 October 2016

1 reference

5'-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl)adenosine (English)

19 October 2016

2 references

SCHEMBL8420565 (English)

matched by identifier from

19 October 2016

InChIKey

WUPFAKUEHUVIDK-KQYNXXCUSA-N

1 reference

0 references

1 reference

3UPQ (English)