[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Formula:C9H14N3O8P Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is not a drug-like molecule.

MolName	[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
MolecularFormula	C9H14N3O8P
Smiles	NC(C=CN1[C@@H]([C@@H]2O)O[C@@H](COP(O)(O)=O)[C@@H]2O)=NC1=O
InChI	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1
InChIK	IERHLVCPSMICTF-PSQAKQOGSA-N
TotalMolweight	323.197
Molweight	323.197
MonoisotopicMass	323.051854
CLogP	-6.3374
CLogS	0.849
H Acceptors	11
H Donors	5
TotalSurfaceArea	205.47
Relative PSA	0.64627
PolarSurfaceArea	184.95
Druglikeness	-24.391
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Sp3Atoms	12
Symmetricatoms	1
Amides	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon	this enantiomer

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1 - [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | 2 - [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

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