GD040172

Name:

adenosine-5'-sp-alpha-thio-triphosphate

Formula:

C10H16O12N5P3S

Smiles:

Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(S)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O

Aglycone:

COP(=O)(S)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• T99
• TAT

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD15628

Formula: CH7O9P3S

Smiles:

COP(=O)(S)OP(=O)(O)OP(=O)(O)O

HBA:	9	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	0.9	Num_rotatable_bonds:	5
MolWt:	288.05	Num_heavy_atoms:	14
TPSA:	139.59	NumAromaticRings:	0