GD039888

Name:

[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

Formula:

C28H36O18N10P3

Smiles:

Cc1cccc(Cn2c[n+]([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@H](n5cnc6c(=O)[nH]c(N)nc65)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)c3nc(N)[nH]c(=O)c32)c1

Aglycone:

COP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Cc1cccc(Cn2c[nH+]c3nc(N)[nH]c(=O)c32)c1.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• P3E

AD00207

Formula: C5H4ON5

Smiles:

Nc1nc2c(c(=O)[nH]1)N=C[N]2

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.74	Num_rotatable_bonds:	0
MolWt:	150.12	Num_heavy_atoms:	11
TPSA:	98.23	NumAromaticRings:	1

AD02306

Formula: C2H9O10P3

Smiles:

COP(=O)(O)OP(=O)(O)OP(=O)(O)OC

HBA:	10	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	0.61	Num_rotatable_bonds:	6
MolWt:	286.01	Num_heavy_atoms:	15
TPSA:	148.82	NumAromaticRings:	0

AD24575

Formula: C13H14ON5

Smiles:

Cc1cccc(Cn2c[nH+]c3nc(N)[nH]c(=O)c32)c1

HBA:	6	RingCount:	3
HBD:	4	FractionCSP3:	0.15
AlogP:	0.48	Num_rotatable_bonds:	2
MolWt:	256.29	Num_heavy_atoms:	19
TPSA:	90.84	NumAromaticRings:	3