GD038106

Name:

[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

Formula:

C33H45O20N9P2

Smiles:

Cc1cc2c(cc1C)N([C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)c1c(O)nc(O)nc1N2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

Aglycone:

COP(=O)(O)O[PH](=O)O.Cc1cc2c(cc1C)N(C)c1nc(O)nc(O)c1N2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC(O)C(O)C(O)O.OCC1OC(O)C(O)C(O)C1O.OOCC1OC(O)C(O)C1O

Other Identifiers

• 62F

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

AD02733

Formula: CH6O6P2

Smiles:

COP(=O)(O)O[PH](=O)O

HBA:	6	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	0.13	Num_rotatable_bonds:	3
MolWt:	176.0	Num_heavy_atoms:	9
TPSA:	93.06	NumAromaticRings:	0

AD23858

Formula: C13H14O2N4

Smiles:

Cc1cc2c(cc1C)N(C)c1nc(O)nc(O)c1N2

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.23
AlogP:	2.33	Num_rotatable_bonds:	0
MolWt:	258.28	Num_heavy_atoms:	19
TPSA:	81.51	NumAromaticRings:	2