Bis(3'-5')cyclic diuridine monophosphate

1-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2,4-dioxopyrimidin-1-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]pyrimidine-2,4-dione

Also Known As: Cyclo-upup|c-di-UMP|Cyclic bis((3'-5')uridylic acid)|3',3'-Cdump|KST-1B9437|Bis(3'-5')cyclic diuridine monophosphate|Cyclo(uridylyl-(3'-5')uridine monophosphate)|3'-Uridylic acid, uridylyl-(3'-5')-, cyclic nucleotide|Cyclic di-uridine monophosphate, c-di-UMP sodium salt|3'-Uridylic acid,uridylyl-(3'®5')-,cyclic nucleotide|1,1'-[(2r,3r,3as,7ar,9r,10r,10as,14ar)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]dipyrimidine-2,4(1h,3h)-dione|(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-3,5,10,12-Tetrahydroxy-2,9-bis(4-hydroxy-2-oxopyrimidin-1(2H)-yl)octahydro-2H,5H,7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione|1,1'-(3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9]tetraoxa[2,8]diphosphacyclododecine-2,9-diyl)bis(4-hydroxypyrimidin-2(1H)-one)|1-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2,4-dioxopyrimidin-1-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]pyrimidine-2,4-dione|3,5,10,12-Tetrahydroxy-2,9-bis(4-hydroxy-2-oxopyrimidin-1(2H)-yl)octahydro-2H,5H,7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione|9BJ

Molecular Formula	C18H22N4O16P2
Molecular Weight	612.0506 g/mol
LogP	-5.9
Topological Polar Surface Area	269.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	2
Exact Mass	612.0506
Monoisotopic Mass	612.0506
Heavy Atoms	40
Complexity	1170.0

Chemical Identifiers

CAS Number	951-83-7
SMILES	C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O1)O)O
InChIKey	ADHSUZMEJHOWOL-NCOIDOBVSA-N