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Casrn : 97635-35-3

MolName : Uridine 5'-(trihydrogen diphosphate), dipotassium salt

MolecularFormula : K.K.C9H12N2O12P2

Smiles : [O-]P(O)(OP([O-])(OC[C@H]([C@H]([C@H]1O)O)O[C@H]1N(C=CC(N1)=O)C1=O)=O)=O.[K+].[K+]

InChI : InChI=1S/C9H14N2O12P2.2K/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7+,8+;;/m1../s1

InChIK : QLYHPAJMTFPEHP-IVQCZNQQSA-L

CanonicalSyTyLFy : 326a53977e8f96f2

TotalMolweight : 480.34

Molweight : 402.144

MonoisotopicMass : 401.986552

CLogP : -10.74

CLogS : 2.065

H Acceptors : 14

H Donors : 4

TotalSurfaceArea : 245.67

Relative PSA : 0.70416

PolarSurfaceArea : 237.67

Druglikeness : -50.91

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.56

Molecula Flexibility : 0.62723

Molecular Complexity : 0.84556

Fragments : 3

Non HAtoms : 25

NonCHAtoms : 16

Electronegative Atoms : 16

StereoCenters : 6

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Sp3Atoms : 15

Amides : 2

AcidicOxygens : 3

StereoCon : unknown chirality