GD039378

Name:

((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-n-(2-((((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid

Formula:

C24H32O10N13P

Smiles:

CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NCC(=O)N(CC(=O)NC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)CP(=O)(O)O

Aglycone:

CNC(=O)CN(CP(=O)(O)O)C(=O)CNC(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1(C)C.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• J1F

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

AD24380

Formula: C15H23O7N8P

Smiles:

CNC(=O)CN(CP(=O)(O)O)C(=O)CNC(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1(C)C

HBA:	15	RingCount:	2
HBD:	8	FractionCSP3:	0.47
AlogP:	-2.55	Num_rotatable_bonds:	7
MolWt:	458.37	Num_heavy_atoms:	31
TPSA:	232.2	NumAromaticRings:	1