GD038250

Name:

[[[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

Formula:

C24H34O17N10P3S

Smiles:

C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)O[P@](=O)(S)OP(=O)(O)OC[C@H]3O[C@H](n4cnc5c(=O)nc(N)[nH]c54)[C@H](O)[C@@H]3O)[C@H]3OC(C)(C)O[C@@H]32)c2nc(N)[nH]c(=O)c21

Aglycone:

COP(=O)(O)OP(=O)(S)OP(=O)(O)OCC1OC(n2c[n+](C)c3c(=O)[nH]c(N)nc32)C2OC(C)(C)OC12.Nc1nc(=O)c2c([nH]1)[N]C=N2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• 7L2

AD01192

Formula: C5H4ON5

Smiles:

Nc1nc(=O)c2c([nH]1)[N]C=N2

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

AD23929

Formula: C15H25O13N5P3S

Smiles:

COP(=O)(O)OP(=O)(S)OP(=O)(O)OCC1OC(n2c[n+](C)c3c(=O)[nH]c(N)nc32)C2OC(C)(C)OC12

HBA:	18	RingCount:	4
HBD:	5	FractionCSP3:	0.67
AlogP:	0.48	Num_rotatable_bonds:	9
MolWt:	608.38	Num_heavy_atoms:	37
TPSA:	236.86	NumAromaticRings:	2