GD037975

Name:

[(2r,3r,4r,5s,6r)-3-acetamido-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

Formula:

C25H36O20N5P3

Smiles:

CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](C)[C@@H](N=Cc2c(COP(=O)(O)O)cnc(C)c2O)[C@@H]1O

Aglycone:

COP(=O)(O)OP(=O)(O)OC1OC(C)C(N=Cc2c(COP(=O)(O)O)cnc(C)c2O)C(O)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• 4RA

AD00106

Formula: C4H4O2N2

Smiles:

O=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	NumAromaticRings:	1

AD23810

Formula: C17H28O15N3P3

Smiles:

COP(=O)(O)OP(=O)(O)OC1OC(C)C(N=Cc2c(COP(=O)(O)O)cnc(C)c2O)C(O)C1NC(C)=O

HBA:	18	RingCount:	2
HBD:	7	FractionCSP3:	0.59
AlogP:	-0.02	Num_rotatable_bonds:	11
MolWt:	607.34	Num_heavy_atoms:	38
TPSA:	273.09	NumAromaticRings:	1