Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine

(3S)-2-[[9-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid

Also Known As: Sid 769215|KST-1A7994|Uridylyl-(3'-5')-N(6)-(N-threonylcarbonyl)adenosine|(3S)-2-[[9-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxybutanoic acid|(3s)-2-[({9-[(2r,3r,4s,5r)-5-({[{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-9h-purin-6-yl}carbamoyl)amino]-3-hydroxybutanoic acid(non-preferred name)|Adenosine, uridylyl-(3'-5')-N-(((1-carboxy-2-hydroxypropyl)amino)carbonyl)-, (S)-|Adenosine,uridylyl-(3'(R)5')-N-[[(1-carboxy-2-hydroxypropyl)amino]carbonyl]-,(S)-(9ci)|Adenosine, uridylyl-(3'(R)5')-N-[[(1-carboxy-2-hydroxypropyl)amino]carbonyl]-,(S)- (9CI)

Molecular Formula	C24H31N8O16P
Molecular Weight	718.15955 g/mol
LogP	-6.3
Topological Polar Surface Area	347.0 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	19
Rotatable Bonds	12
Exact Mass	718.15955
Monoisotopic Mass	718.15955
Heavy Atoms	49
Complexity	1350.0

Chemical Identifiers

CAS Number	7399-58-8
SMILES	C[C@@H](C(C(=O)O)NC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O
InChIKey	KEJRWEHAXNIPFY-MXPPEQKUSA-N