Cytidylyl-cytidylyl-adenosine

[2-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl] phosphate

Also Known As: CpCpA|Cytidylyl-cytidylyl-adenosine|KST-1A4004|Adenosine, cytidylyl-(3'-5')-cytidylyl-(3'-5')-|[2-[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethoxy-hydroxy-phosphoryl][(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl] phosphate|[2-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl] phosphate

Molecular Formula	C28H37N11O18P2
Molecular Weight	877.1793 g/mol
LogP	-8.6
Topological Polar Surface Area	427.0 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	22
Rotatable Bonds	14
Exact Mass	877.1793
Monoisotopic Mass	877.1793
Heavy Atoms	59
Complexity	1830.0

Chemical Identifiers

CAS Number	2866-39-9
SMILES	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CCOP(=O)(O)OP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O)O[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)O)O)O
InChIKey	YVAGUMIBZXZKRJ-VYKNSILMSA-N