C41H33ClN3O9P

[(3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate

Also Known As: 2,4,6-Trifluorobenzoyl chloride|3'-Cytidylic acid, N-benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)-, mono(2-chlorophenyl) ester|[(3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-3-yl] (2-chlorophenyl) hydrogen phosphate|4-(Benzoylimino)-1-[(4xi)-3-O-[(2-chlorophenoxy)(hydroxy)phosphoryl]-2-deoxy-5-O-(9-phenyl-9H-xanthen-9-yl)-beta-D-glycero-pentofuranosyl]-1,4-dihydropyrimidin-2-ol|4-(Benzoylimino)-1-{3-O-[(2-chlorophenoxy)(hydroxy)phosphoryl]-2-deoxy-5-O-(9-phenyl-9H-xanthen-9-yl)pentofuranosyl}-1,4-dihydropyrimidin-2-ol

Molecular Formula	C41H33ClN3O9P
Molecular Weight	777.1643 g/mol
LogP	6.3
Topological Polar Surface Area	145.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	11
Exact Mass	777.1643
Monoisotopic Mass	777.1643
Heavy Atoms	55
Complexity	1450.0

Chemical Identifiers

CAS Number	79527-01-8
SMILES	C1[C@@H](C(O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC4(C5=CC=CC=C5OC6=CC=CC=C64)C7=CC=CC=C7)OP(=O)(O)OC8=CC=CC=C8Cl
InChIKey	QYAXWLSRSLJKPU-RPWNLYHOSA-N