3'-Deoxy-3'-aminocytidylyl(3'-5')adenosine

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

Also Known As: C(3'NH)pA|KST-1A8847|3'-Deoxy-3'-aminocytidylyl(3'-5')adenosine|Adenosine, 3'-amino-3'-deoxycytidylyl-(3'-5')-|[(2s,3s,4r,5r)-3-amino-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxytetrahydrofuran-2-yl]methyl[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate(non-preferred name)|[(2S,3S,4R,5R)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Molecular Formula	C19H26N9O10P
Molecular Weight	571.15405 g/mol
LogP	-8.2
Topological Polar Surface Area	289.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	15
Rotatable Bonds	8
Exact Mass	571.15405
Monoisotopic Mass	571.15405
Heavy Atoms	39
Complexity	1040.0

Chemical Identifiers

CAS Number	91066-65-8
SMILES	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)N)O
InChIKey	RFDGFVQDQPIHOX-YRHMQFFASA-N