Ethidium-iodouridylyl(3'-5')adenosine

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate;5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine

Also Known As: Ethidium-iodouridylyl(3'-5')adenosine|5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine,hydrochloride|Carbazole,3-amino-5,6,7,8,12,13-hexahydro-,hydrochloride|Adenosine, 5-iodouridylyl-(3'-5')-, ion(1-), 3,8-diamino-5-ethyl-6-phenylphenanthridinium|[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate;5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine|3,8-diamino-5-ethyl-6-phenylphenanthridinium[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl[(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl phosphate(non-preferred name)|[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate; 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine

Molecular Formula	C40H42IN10O12P
Molecular Weight	1012.1766 g/mol
LogP	0.4351
Topological Polar Surface Area	333.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	18
Rotatable Bonds	10
Exact Mass	1012.1766
Monoisotopic Mass	1012.1766
Heavy Atoms	64
Complexity	1490.0

Chemical Identifiers

CAS Number	7313-95-3
SMILES	CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.C1=C(C(=O)NC(=O)N1[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)O)O)I
InChIKey	CJGNGIBSMVXQSV-SGMHBCTGSA-N