sodium [(2R,3S,4R)-3-[[(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-(4-chloranylphenoxy)phosphoryl]oxy-4-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl 2-[2-[bis(4-methoxyphenyl)-phenyl-methoxy]ethylsulfonyl]ethyl phosphate

Systemtic Name: sodium [(2R,3S,4R)-3-[[(2R,3S,5R)-3-acetyloxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-(4-chloranylphenoxy)phosphoryl]oxy-4-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl 2-[2-[bis(4-methoxyphenyl)-phenyl-methoxy]ethylsulfonyl]ethyl phosphate Openeye Name: sodium [(2R,3S,4R)-3-[[(2R,3S,5R)-3-acetoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]oxy-4-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl 2-[2-[bis(4-methoxyphenyl)-phenyl-methoxy]ethylsulfonyl]ethyl phosphate CAS Name: sodium [(2R,3S,4R)-3-[[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-(4-chlorophenoxy)phosphoryl]oxy-4-(6-benzamido-9-purinyl)-2-oxolanyl]methyl 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethyl phosphate IUPAC Name: sodium [(2R,3S,4R)-3-[[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]oxy-4-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethyl phosphate Traditional Name: sodium [(2R,3S,4R)-3-[[(2R,3S,5R)-3-acetoxy-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]oxy-4-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl 2-[2-[bis(4-methoxyphenyl)-phenyl-methoxy]ethylsulfonyl]ethyl phosphate Formula: C60H61ClN7NaO20P2S MolecularWeight: 1352.616532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OC3C(COC3COP(=O)([O-])OCCS(=O)(=O)CCOC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9)OC1=CC=C(C=C1)Cl)OC(=O)C.[Na+]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O[C@H]3[C@@H](CO[C@@H]3COP(=O)([O-])OCCS(=O)(=O)CCOC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9)OC1=CC=C(C=C1)Cl)OC(=O)C.[Na+]

InChI

InChI=1S/C60H62ClN7O20P2S.Na/c1-38-32-67(59(72)66-57(38)70)52-31-49(85-39(2)69)50(86-52)34-84-90(75,87-47-25-19-44(61)20-26-47)88-54-48(68-37-64-53-55(62-36-63-56(53)68)65-58(71)40-11-7-5-8-12-40)33-80-51(54)35-83-89(73,74)82-28-30-91(76,77)29-27-81-60(41-13-9-6-10-14-41,42-15-21-45(78-3)22-16-42)43-17-23-46(79-4)24-18-43;/h5-26,32,36-37,48-52,54H,27-31,33-35H2,1-4H3,(H,73,74)(H,66,70,72)(H,62,63,65,71);/q;+1/p-1/t48-,49+,50-,51-,52-,54+,90?;/m1./s1