5-(Saenta-x8)fluorescein

N-[6-[2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolan-2-yl]methylsulfanyl]ethylamino]-6-oxohexyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide

Also Known As: 5-(Saenta-x8)fluorescein|5'-s-{2-[(6-{[(3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbonyl]amino}hexanoyl)amino]ethyl}-n-(4-nitrobenzyl)-5'-thioadenosine|N-[6-[2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolan-2-yl]methylsulfanyl]ethylamino]-6-oxohexyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide|Adenosine, 5'-S-(2-((6-(((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)carbonyl)amino)-1-oxohexyl)amino)ethyl)-N-((4-nitrophenyl)methyl)-5'-thio-

Molecular Formula	C46H44N8O12S
Molecular Weight	932.27997 g/mol
LogP	3.7
Topological Polar Surface Area	311.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	17
Rotatable Bonds	16
Exact Mass	932.27997
Monoisotopic Mass	932.27997
Heavy Atoms	67
Complexity	1700.0

Chemical Identifiers

CAS Number	17579-79-2
SMILES	C1=CC(=CC=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCCNC(=O)CCCCCNC(=O)C5=CC6=C(C=C5)C7(C8=C(C=C(C=C8)O)OC9=C7C=CC(=C9)O)OC6=O)O)O)[N+](=O)[O-]
InChIKey	CPYCKNMORRXMPZ-BDWBDYAHSA-N