GD038400

Name:

phosphomethylphosphonic acid adenosyl ester

Formula:

C11H17O9N5P2

Smiles:

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

Aglycone:

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

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• A12
• AP2

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

AD02310

Formula: C2H8O6P2

Smiles:

COP(=O)(O)CP(=O)(O)O

HBA:	6	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.05	Num_rotatable_bonds:	3
MolWt:	190.03	Num_heavy_atoms:	10
TPSA:	104.06	NumAromaticRings:	0