(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride

C79H108Cl6F5N19O17P2 — CID 157050894

About (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride (PubChem CID 157050894) has the molecular formula C79H108Cl6F5N19O17P2 and a molecular weight of 1965.50 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride
• PubChem CID: 157050894
• Molecular Formula: C79H108Cl6F5N19O17P2
• Molecular Weight: 1965.50 g/mol
• Exact Mass: 1961.57
• IUPAC Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride
• SMILES: CC[C@H]1OC(=O)[C@](C)(F)[C@@H]1C.CC[C@H]1OC(O)[C@](C)(F)[C@@H]1C.CC[C@H]1OC(n2cnc3c(Cl)ncnc32)[C@](C)(F)[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@](C)(F)[C@@H]1C.COC(=O)[C@H](C)CP(=O)(Cl)Oc1ccccc1.COC(=O)[C@H](C)N.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.Cl.Clc1ncnc2nc[nH]c12.O=P(Cl)(Cl)Oc1ccccc1
• InChI: InChI=1S/C13H16ClFN4O.C13H18FN5O.C11H14ClO4P.C11H14FN5O3.C8H15FO2.C8H13FO2.C6H5Cl2O2P.C5H3ClN4.C4H9NO2.ClH/c1-4-8-7(2)13(3,15)12(20-8)19-6-18-9-10(14)16-5-17-11(9)19;1-4-8-7(2)13(3,14)12(20-8)19-6-18-9-10(15)16-5-17-11(9)19;1-9(11(13)15-2)8-17(12,14)16-10-6-4-3-5-7-10;1-11(12)7(19)5(2-18)20-10(11)17-4-16-6-8(13)14-3-15-9(6)17;2*1-4-6-5(2)8(3,9)7(10)11-6;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;/h5-8,12H,4H2,1-3H3;5-8,12H,4H2,1-3H3,(H2,15,16,17);3-7,9H,8H2,1-2H3;3-5,7,10,18-19H,2H2,1H3,(H2,13,14,15);5-7,10H,4H2,1-3H3;5-6H,4H2,1-3H3;1-5H;1-2H,(H,7,8,9,10);3H,5H2,1-2H3;1H/t7-,8-,12?,13-;7-,8-,12-,13-;9-,17?;5-,7-,10-,11-;5-,6-,7?,8-;5-,6-,8-;;;3-;/m111111..0./s1
• InChIKey: SZKDBQQJHQMLTI-DQXKTVCLSA-N
• XLogP: 15.68
• TPSA: 492.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1965.50
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

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)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride?

The IUPAC name of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride (CID 157050894) is (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride.

What is the SMILES notation for (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride?

The canonical SMILES for (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride is CC[C@H]1OC(=O)[C@](C)(F)[C@@H]1C.CC[C@H]1OC(O)[C@](C)(F)[C@@H]1C.CC[C@H]1OC(n2cnc3c(Cl)ncnc32)[C@](C)(F)[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@](C)(F)[C@@H]1C.COC(=O)[C@H](C)CP(=O)(Cl)Oc1ccccc1.COC(=O)[C@H](C)N.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.Cl.Clc1ncnc2nc[nH]c12.O=P(Cl)(Cl)Oc1ccccc1.

What is the InChIKey of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride?

The InChIKey is SZKDBQQJHQMLTI-DQXKTVCLSA-N. The full InChI is InChI=1S/C13H16ClFN4O.C13H18FN5O.C11H14ClO4P.C11H14FN5O3.C8H15FO2.C8H13FO2.C6H5Cl2O2P.C5H3ClN4.C4H9NO2.ClH/c1-4-8-7(2)13(3,15)12(20-8)19-6-18-9-10(14)16-5-17-11(9)19;1-4-8-7(2)13(3,14)12(20-8)19-6-18-9-10(15)16-5-17-11(9)19;1-9(11(13)15-2)8-17(12,14)16-10-6-4-3-5-7-10;1-11(12)7(19)5(2-18)20-10(11)17-4-16-6-8(13)14-3-15-9(6)17;2*1-4-6-5(2)8(3,9)7(10)11-6;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;/h5-8,12H,4H2,1-3H3;5-8,12H,4H2,1-3H3,(H2,15,16,17);3-7,9H,8H2,1-2H3;3-5,7,10,18-19H,2H2,1H3,(H2,13,14,15);5-7,10H,4H2,1-3H3;5-6H,4H2,1-3H3;1-5H;1-2H,(H,7,8,9,10);3H,5H2,1-2H3;1H/t7-,8-,12?,13-;7-,8-,12-,13-;9-,17?;5-,7-,10-,11-;5-,6-,7?,8-;5-,6-,8-;;;3-;/m111111..0./s1.

What are the key properties of (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride?

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride has a molecular weight of 1965.50 g/mol, XLogP of 15.68, 16 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;6-chloro-9-[(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purine;6-chloro-7H-purine;dichlorophosphoryloxybenzene;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]purin-6-amine;methyl (2S)-2-aminopropanoate;methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 157050894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).