GD039087

Name:

[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate

Formula:

C20H33O16N3P2

Smiles:

Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)[C@@H](O)[C@@H](NC(=O)C[C@H](C)O)[C@H]3O)O2)c(=O)[nH]c1=O

Aglycone:

CC(O)CC(N)=O.Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O

Other Identifiers

• FUH
• QUH

AD16349

Formula: C10H16O11N2P2

Smiles:

Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O

HBA:	13	RingCount:	2
HBD:	5	FractionCSP3:	0.6
AlogP:	-1.28	Num_rotatable_bonds:	6
MolWt:	402.19	Num_heavy_atoms:	25
TPSA:	197.61	NumAromaticRings:	1

AD24273

Formula: C4H9O2N

Smiles:

CC(O)CC(N)=O

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	0.75
AlogP:	-0.76	Num_rotatable_bonds:	2
MolWt:	103.12	Num_heavy_atoms:	7
TPSA:	63.32	NumAromaticRings:	0