(2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol

C115H128F3N36O40P5S2 — CID 158538112

IUPAC(2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol
SMILESCc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])n4C)C(O)[C@H]3O)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])o4)C(O)[C@H]3F)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])s4)C(O)[C@H]3F)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])s4)C(O)[C@H]3O)c2n1.Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(NCc2ccccc2)OCc2ccc([N+](=O)[O-])o2)C(O)[C@H]1O
InChIInChI=1S/C24H29N8O8P.C23H25FN7O8P.C23H25FN7O7PS.C23H26N7O8PS.C22H23FN7O9P/c1-14-28-22(25)19-23(29-14)31(13-26-19)24-21(34)20(33)17(40-24)12-39-41(37,27-10-15-6-4-3-5-7-15)38-11-16-8-9-18(30(16)2)32(35)36;1-13-28-21(25)19-22(29-13)30(12-26-19)23-18(24)20(32)16(39-23)11-37-40(35,27-9-14-5-3-2-4-6-14)36-10-15-7-8-17(38-15)31(33)34;1-13-28-21(25)19-22(29-13)30(12-26-19)23-18(24)20(32)16(38-23)11-37-39(35,27-9-14-5-3-2-4-6-14)36-10-15-7-8-17(40-15)31(33)34;1-13-27-21(24)18-22(28-13)29(12-25-18)23-20(32)19(31)16(38-23)11-37-39(35,26-9-14-5-3-2-4-6-14)36-10-15-7-8-17(40-15)30(33)34;23-22-27-19(24)16-20(28-22)29(11-25-16)21-18(32)17(31)14(39-21)10-37-40(35,26-8-12-4-2-1-3-5-12)36-9-13-6-7-15(38-13)30(33)34/h3-9,13,17,20-21,24,33-34H,10-12H2,1-2H3,(H,27,37)(H2,25,28,29);2*2-8,12,16,18,20,23,32H,9-11H2,1H3,(H,27,35)(H2,25,28,29);2-8,12,16,19-20,23,31-32H,9-11H2,1H3,(H,26,35)(H2,24,27,28);1-7,11,14,17-18,21,31-32H,8-10H2,(H,26,35)(H2,24,27,28)/t17-,20?,21-,24-,41?;16-,18-,20?,23-,40?;16-,18-,20?,23-,39?;16-,19?,20-,23-,39?;14-,17?,18-,21-,40?/m11111/s1
InChIKeyHOENUYNFHAAHTD-LWJVYTCRSA-N
MW2930.50 g/mol
LogP12.31
Rot. Bonds55

About (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol

(2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol (PubChem CID 158538112) has the molecular formula C115H128F3N36O40P5S2 and a molecular weight of 2930.50 g/mol. Its IUPAC name is (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol
PubChem CID158538112
Molecular FormulaC115H128F3N36O40P5S2
Molecular Weight2930.50 g/mol
Exact Mass2928.72
IUPAC Name(2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol
SMILESCc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])n4C)C(O)[C@H]3O)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])o4)C(O)[C@H]3F)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])s4)C(O)[C@H]3F)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])s4)C(O)[C@H]3O)c2n1.Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(NCc2ccccc2)OCc2ccc([N+](=O)[O-])o2)C(O)[C@H]1O
InChIInChI=1S/C24H29N8O8P.C23H25FN7O8P.C23H25FN7O7PS.C23H26N7O8PS.C22H23FN7O9P/c1-14-28-22(25)19-23(29-14)31(13-26-19)24-21(34)20(33)17(40-24)12-39-41(37,27-10-15-6-4-3-5-7-15)38-11-16-8-9-18(30(16)2)32(35)36;1-13-28-21(25)19-22(29-13)30(12-26-19)23-18(24)20(32)16(39-23)11-37-40(35,27-9-14-5-3-2-4-6-14)36-10-15-7-8-17(38-15)31(33)34;1-13-28-21(25)19-22(29-13)30(12-26-19)23-18(24)20(32)16(38-23)11-37-39(35,27-9-14-5-3-2-4-6-14)36-10-15-7-8-17(40-15)31(33)34;1-13-27-21(24)18-22(28-13)29(12-25-18)23-20(32)19(31)16(38-23)11-37-39(35,26-9-14-5-3-2-4-6-14)36-10-15-7-8-17(40-15)30(33)34;23-22-27-19(24)16-20(28-22)29(11-25-16)21-18(32)17(31)14(39-21)10-37-40(35,26-8-12-4-2-1-3-5-12)36-9-13-6-7-15(38-13)30(33)34/h3-9,13,17,20-21,24,33-34H,10-12H2,1-2H3,(H,27,37)(H2,25,28,29);2*2-8,12,16,18,20,23,32H,9-11H2,1H3,(H,27,35)(H2,25,28,29);2-8,12,16,19-20,23,31-32H,9-11H2,1H3,(H,26,35)(H2,24,27,28);1-7,11,14,17-18,21,31-32H,8-10H2,(H,26,35)(H2,24,27,28)/t17-,20?,21-,24-,41?;16-,18-,20?,23-,40?;16-,18-,20?,23-,39?;16-,19?,20-,23-,39?;14-,17?,18-,21-,40?/m11111/s1
InChIKeyHOENUYNFHAAHTD-LWJVYTCRSA-N
XLogP12.31
TPSA1040.80 Ų
H-Bond Donors18
H-Bond Acceptors68
Rotatable Bonds55
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002930.50
LogP ≤ 512.31
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol (CID 158538112) is (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol is Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])n4C)C(O)[C@H]3O)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])o4)C(O)[C@H]3F)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])s4)C(O)[C@H]3F)c2n1.Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(NCc4ccccc4)OCc4ccc([N+](=O)[O-])s4)C(O)[C@H]3O)c2n1.Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(NCc2ccccc2)OCc2ccc([N+](=O)[O-])o2)C(O)[C@H]1O.
What is the InChIKey of (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol?
The InChIKey is HOENUYNFHAAHTD-LWJVYTCRSA-N. The full InChI is InChI=1S/C24H29N8O8P.C23H25FN7O8P.C23H25FN7O7PS.C23H26N7O8PS.C22H23FN7O9P/c1-14-28-22(25)19-23(29-14)31(13-26-19)24-21(34)20(33)17(40-24)12-39-41(37,27-10-15-6-4-3-5-7-15)38-11-16-8-9-18(30(16)2)32(35)36;1-13-28-21(25)19-22(29-13)30(12-26-19)23-18(24)20(32)16(39-23)11-37-40(35,27-9-14-5-3-2-4-6-14)36-10-15-7-8-17(38-15)31(33)34;1-13-28-21(25)19-22(29-13)30(12-26-19)23-18(24)20(32)16(38-23)11-37-39(35,27-9-14-5-3-2-4-6-14)36-10-15-7-8-17(40-15)31(33)34;1-13-27-21(24)18-22(28-13)29(12-25-18)23-20(32)19(31)16(38-23)11-37-39(35,26-9-14-5-3-2-4-6-14)36-10-15-7-8-17(40-15)30(33)34;23-22-27-19(24)16-20(28-22)29(11-25-16)21-18(32)17(31)14(39-21)10-37-40(35,26-8-12-4-2-1-3-5-12)36-9-13-6-7-15(38-13)30(33)34/h3-9,13,17,20-21,24,33-34H,10-12H2,1-2H3,(H,27,37)(H2,25,28,29);2*2-8,12,16,18,20,23,32H,9-11H2,1H3,(H,27,35)(H2,25,28,29);2-8,12,16,19-20,23,31-32H,9-11H2,1H3,(H,26,35)(H2,24,27,28);1-7,11,14,17-18,21,31-32H,8-10H2,(H,26,35)(H2,24,27,28)/t17-,20?,21-,24-,41?;16-,18-,20?,23-,40?;16-,18-,20?,23-,39?;16-,19?,20-,23-,39?;14-,17?,18-,21-,40?/m11111/s1.
What are the key properties of (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol?
(2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol has a molecular weight of 2930.50 g/mol, XLogP of 12.31, 55 rotatable bonds, 18 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(1-methyl-5-nitropyrrol-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,4R,5R)-5-(6-amino-2-methylpurin-9-yl)-2-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]-4-fluorooxolan-3-ol;(2R,3R,5R)-2-(6-amino-2-methylpurin-9-yl)-5-[[(benzylamino)-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxymethyl]oxolane-3,4-diol is sourced from PubChem (CID 158538112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).