[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride

C126H123Cl6F5N20O33P2 — CID 157066606

About [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride

[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride (PubChem CID 157066606) has the molecular formula C126H123Cl6F5N20O33P2 and a molecular weight of 2815.13 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride
• PubChem CID: 157066606
• Molecular Formula: C126H123Cl6F5N20O33P2
• Molecular Weight: 2815.13 g/mol
• Exact Mass: 2810.61
• IUPAC Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride
• SMILES: COC(=O)[C@H](C)N.COC(=O)[C@H](C)NP(=O)(Cl)Oc1ccccc1.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21.C[C@]1(F)C(=O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1.C[C@]1(F)C(O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1.C[C@]1(F)C(n2cnc3c(Cl)ncnc32)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1.Cl.Clc1ncnc2nc[nH]c12.O=P(Cl)(Cl)Oc1ccccc1
• InChI: InChI=1S/C25H20ClFN4O5.C25H22FN5O5.C20H19FO6.C20H17FO6.C11H14FN5O3.C10H13ClNO4P.C6H5Cl2O2P.C5H3ClN4.C4H9NO2.ClH/c1-25(27)19(36-23(33)16-10-6-3-7-11-16)17(12-34-22(32)15-8-4-2-5-9-15)35-24(25)31-14-30-18-20(26)28-13-29-21(18)31;1-25(26)19(36-23(33)16-10-6-3-7-11-16)17(12-34-22(32)15-8-4-2-5-9-15)35-24(25)31-14-30-18-20(27)28-13-29-21(18)31;2*1-20(21)16(27-18(23)14-10-6-3-7-11-14)15(26-19(20)24)12-25-17(22)13-8-4-2-5-9-13;1-11(12)7(19)5(2-18)20-10(11)17-4-16-6-8(13)14-3-15-9(6)17;1-8(10(13)15-2)12-17(11,14)16-9-6-4-3-5-7-9;7-11(8,9)10-6-4-2-1-3-5-6;6-4-3-5(9-1-7-3)10-2-8-4;1-3(5)4(6)7-2;/h2-11,13-14,17,19,24H,12H2,1H3;2-11,13-14,17,19,24H,12H2,1H3,(H2,27,28,29);2-11,15-16,19,24H,12H2,1H3;2-11,15-16H,12H2,1H3;3-5,7,10,18-19H,2H2,1H3,(H2,13,14,15);3-8H,1-2H3,(H,12,14);1-5H;1-2H,(H,7,8,9,10);3H,5H2,1-2H3;1H/t17-,19-,24?,25-;17-,19-,24-,25-;15-,16-,19?,20-;15-,16-,20-;5-,7-,10-,11-;8-,17?;;;3-;/m111110..0./s1
• InChIKey: FRVQSHAVKKFFHA-GCKWGABPSA-N
• XLogP: 19.08
• TPSA: 714.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 51
• Rotatable Bonds: 32
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2815.13
LogP ≤ 5	19.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride?

The IUPAC name of [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride (CID 157066606) is [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride.

What is the SMILES notation for [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride?

The canonical SMILES for [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride is COC(=O)[C@H](C)N.COC(=O)[C@H](C)NP(=O)(Cl)Oc1ccccc1.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21.C[C@]1(F)C(=O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1.C[C@]1(F)C(O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1.C[C@]1(F)C(n2cnc3c(Cl)ncnc32)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1.Cl.Clc1ncnc2nc[nH]c12.O=P(Cl)(Cl)Oc1ccccc1.

What is the InChIKey of [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride?

The InChIKey is FRVQSHAVKKFFHA-GCKWGABPSA-N. The full InChI is InChI=1S/C25H20ClFN4O5.C25H22FN5O5.C20H19FO6.C20H17FO6.C11H14FN5O3.C10H13ClNO4P.C6H5Cl2O2P.C5H3ClN4.C4H9NO2.ClH/c1-25(27)19(36-23(33)16-10-6-3-7-11-16)17(12-34-22(32)15-8-4-2-5-9-15)35-24(25)31-14-30-18-20(26)28-13-29-21(18)31;1-25(26)19(36-23(33)16-10-6-3-7-11-16)17(12-34-22(32)15-8-4-2-5-9-15)35-24(25)31-14-30-18-20(27)28-13-29-21(18)31;2*1-20(21)16(27-18(23)14-10-6-3-7-11-14)15(26-19(20)24)12-25-17(22)13-8-4-2-5-9-13;1-11(12)7(19)5(2-18)20-10(11)17-4-16-6-8(13)14-3-15-9(6)17;1-8(10(13)15-2)12-17(11,14)16-9-6-4-3-5-7-9;7-11(8,9)10-6-4-2-1-3-5-6;6-4-3-5(9-1-7-3)10-2-8-4;1-3(5)4(6)7-2;/h2-11,13-14,17,19,24H,12H2,1H3;2-11,13-14,17,19,24H,12H2,1H3,(H2,27,28,29);2-11,15-16,19,24H,12H2,1H3;2-11,15-16H,12H2,1H3;3-5,7,10,18-19H,2H2,1H3,(H2,13,14,15);3-8H,1-2H3,(H,12,14);1-5H;1-2H,(H,7,8,9,10);3H,5H2,1-2H3;1H/t17-,19-,24?,25-;17-,19-,24-,25-;15-,16-,19?,20-;15-,16-,20-;5-,7-,10-,11-;8-,17?;;;3-;/m111110..0./s1.

What are the key properties of [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride?

[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride has a molecular weight of 2815.13 g/mol, XLogP of 19.08, 32 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3R,4R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate;6-chloro-7H-purine;dichlorophosphoryloxybenzene;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate;hydrochloride is sourced from PubChem (CID 157066606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).