GD040003

Name:

inosine diphosphate ribose

Formula:

C15H22O15N4P2

Smiles:

O=c1[nH]cnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O

Aglycone:

COP(=O)(O)OP(=O)(O)OC.O=c1[nH]cnc2c1N=C[N]2

Sugarmoiety:

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

Other Identifiers

• R5I
• R7I

AD00050

Formula: C2H8O7P2

Smiles:

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

HBA:	7	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	0.5	Num_rotatable_bonds:	4
MolWt:	206.03	Num_heavy_atoms:	11
TPSA:	102.29	NumAromaticRings:	0

AD01144

Formula: C5H3ON4

Smiles:

O=c1[nH]cnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.0
AlogP:	-0.32	Num_rotatable_bonds:	0
MolWt:	135.11	Num_heavy_atoms:	10
TPSA:	72.21	NumAromaticRings:	1