[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Formula:C9H15N2O15P3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is not a drug-like molecule.

MolName	[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
MolecularFormula	C9H15N2O15P3
Smiles	O[C@@H]([C@H](COP(O)(OP(O)(OP(O)(O)=O)=O)=O)O[C@H]1N(C=CC(N2)=O)C2=O)[C@H]1O
InChI	InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1
InChIK	PGAVKCOVUIYSFO-PSQAKQOGSA-N
TotalMolweight	484.139
Molweight	484.139
MonoisotopicMass	483.968534
CLogP	-10.702
CLogS	3.141
H Acceptors	17
H Donors	7
TotalSurfaceArea	283.43
Relative PSA	0.74357
PolarSurfaceArea	288.35
Druglikeness	-34.18
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	20
Electronegative Atoms	20
StereoCenters	6
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Sp3Atoms	18
Symmetricatoms	1
Amides	2
AcidicOxygens	4
StereoCon	unknown chirality

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1 - [[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | 2 - [[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

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