[(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine

C111H130Cl5F6N27O25P2+2 — CID 157372709

IUPAC[(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine
SMILESC.CC[C@H]1OC(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O[P+](=O)O)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1F.CO.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1.C[P+](C)=O.Clc1ncnc2nc[nH]c12.OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1F.[H]N=C(N(C)C)N(C)C
InChIInChI=1S/C21H19ClO2.C18H16ClFN4O3.C15H17FO5.C11H12ClFN4O2.C11H12FN4O5P.C11H13FN4O3.C10H10ClFN4O3.C5H3ClN4.C5H13N3.C2H6OP.CH4O.CH4/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18;1-2-11-12(20)14(27-18(25)10-6-4-3-5-7-10)17(26-11)24-9-23-13-15(19)21-8-22-16(13)24;1-3-11-12(16)13(15(20-11)19-9(2)17)21-14(18)10-7-5-4-6-8-10;1-2-5-6(13)8(18)11(19-5)17-4-16-7-9(12)14-3-15-10(7)17;1-2-5-6(12)8(21-22(18)19)11(20-5)16-4-15-7-9(16)13-3-14-10(7)17;1-2-5-6(12)8(17)11(19-5)16-4-15-7-9(16)13-3-14-10(7)18;11-8-6-9(14-2-13-8)16(3-15-6)10-7(18)5(12)4(1-17)19-10;6-4-3-5(9-1-7-3)10-2-8-4;1-7(2)5(6)8(3)4;1-4(2)3;1-2;/h3-15H,1-2H3;3-9,11-12,14,17H,2H2,1H3;4-8,11-13,15H,3H2,1-2H3;3-6,8,11,18H,2H2,1H3;3-6,8,11H,2H2,1H3,(H-,13,14,17,18,19);3-6,8,11,17H,2H2,1H3,(H,13,14,18);2-5,7,10,17-18H,1H2;1-2H,(H,7,8,9,10);6H,1-4H3;1-2H3;2H,1H3;1H4/q;;;;;;;;;+1;;/p+1/t;11-,12-,14-,17-;11-,12-,13-,15?;3*5-,6-,8-,11-;4-,5-,7-,10-;;;;;/m.111111...../s1
InChIKeyJZSOZAFQBDONOO-QAOJKDBHSA-O
MW2595.63 g/mol
LogP15.68
Rot. Bonds23

About [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine

[(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine (PubChem CID 157372709) has the molecular formula C111H130Cl5F6N27O25P2+2 and a molecular weight of 2595.63 g/mol. Its IUPAC name is [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name[(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine
PubChem CID157372709
Molecular FormulaC111H130Cl5F6N27O25P2+2
Molecular Weight2595.63 g/mol
Exact Mass2591.75
IUPAC Name[(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine
SMILESC.CC[C@H]1OC(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O[P+](=O)O)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1F.CO.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1.C[P+](C)=O.Clc1ncnc2nc[nH]c12.OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1F.[H]N=C(N(C)C)N(C)C
InChIInChI=1S/C21H19ClO2.C18H16ClFN4O3.C15H17FO5.C11H12ClFN4O2.C11H12FN4O5P.C11H13FN4O3.C10H10ClFN4O3.C5H3ClN4.C5H13N3.C2H6OP.CH4O.CH4/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18;1-2-11-12(20)14(27-18(25)10-6-4-3-5-7-10)17(26-11)24-9-23-13-15(19)21-8-22-16(13)24;1-3-11-12(16)13(15(20-11)19-9(2)17)21-14(18)10-7-5-4-6-8-10;1-2-5-6(13)8(18)11(19-5)17-4-16-7-9(12)14-3-15-10(7)17;1-2-5-6(12)8(21-22(18)19)11(20-5)16-4-15-7-9(16)13-3-14-10(7)17;1-2-5-6(12)8(17)11(19-5)16-4-15-7-9(16)13-3-14-10(7)18;11-8-6-9(14-2-13-8)16(3-15-6)10-7(18)5(12)4(1-17)19-10;6-4-3-5(9-1-7-3)10-2-8-4;1-7(2)5(6)8(3)4;1-4(2)3;1-2;/h3-15H,1-2H3;3-9,11-12,14,17H,2H2,1H3;4-8,11-13,15H,3H2,1-2H3;3-6,8,11,18H,2H2,1H3;3-6,8,11H,2H2,1H3,(H-,13,14,17,18,19);3-6,8,11,17H,2H2,1H3,(H,13,14,18);2-5,7,10,17-18H,1H2;1-2H,(H,7,8,9,10);6H,1-4H3;1-2H3;2H,1H3;1H4/q;;;;;;;;;+1;;/p+1/t;11-,12-,14-,17-;11-,12-,13-,15?;3*5-,6-,8-,11-;4-,5-,7-,10-;;;;;/m.111111...../s1
InChIKeyJZSOZAFQBDONOO-QAOJKDBHSA-O
XLogP15.68
TPSA660.22 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds23
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002595.63
LogP ≤ 515.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine with MolForge

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Related Compounds

bis[[(2R,3S,4R,5R)-5-[[[(2R,3R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-[bis[(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-4-fluoro-2-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy]-oxophosphanium
CID 135359056
CID 157594038
CID 157594038
6-chloro-9-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-chloro-9-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]purin-2-amine;(2R,3R,5R)-5-[6-chloro-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,4R)-3,3-difluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,4R,5S)-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,4R,5R)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-one;[(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl] methanesulfonate
CID 158008626
CID 159406153
CID 159406153
CID 159868454
CID 159868454
(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
[(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
9-[(3aR,4R,6R,6aR)-6-[(1S)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1S)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[diphosphanyl(phosphanyl)phosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanylphosphanyl]-phosphanylphosphanide;6-chloro-7H-purin-2-amine;methane;phosphane
CID 157083348
5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[5-(6-benzamidopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl] dimethyl phosphite;N-[9-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-[2-[4-hydroxy-3-methyl-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]ethyl-methoxyphosphoryl]oxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-[2-[3-hydroxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-4-tri(propan-2-yl)silyloxyoxolan-2-yl]ethyl-methoxyphosphoryl]oxyoxolan-2-yl]purin-6-yl]benzamide;dimethoxy(methyl)phosphane;bis(N-[9-(5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl)purin-6-yl]benzamide);N-[9-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 157352121
9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one;9-[(3aR,4R,6R,6aR)-6-[(1R)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;[(3R,4R,5R)-2-acetyloxy-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-1H-purin-6-one;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanide;[[bis[bis(phosphanyl)phosphanyl]phosphanyl-phosphanidylphosphanyl]-phosphanylphosphanyl]phosphanide;6-chloro-7H-purin-2-amine;methane;phosphanylphosphane
CID 157491377
[(2R,3R,4R,5R)-5-(2-amino-6-chloropurin-9-yl)-2-benzoyloxy-4-fluoro-4-methyloxolan-3-yl] benzoate;(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4R,5R)-2-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-2-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-3-yl] benzoate;[(2S,3R,4R)-2-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-3-yl] benzoate;6-chloro-7H-purin-2-amine;ethyl 2-hydroxyacetate;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-ethoxy-2-oxoethoxy)phosphoryl]amino]-4-methylpentanoate;propan-2-yl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 157576565
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-3-ethenyl-5-ethyl-4-methyloxolan-3-ol;(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-3-ethenyl-5-(hydroxymethyl)oxolane-3,4-diol;[(3R,4R,5R)-3-benzoyloxy-3-ethenyl-5-ethyl-4-methyloxolan-2-yl] benzoate;[(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-3-ethenyl-5-ethyl-4-methyloxolan-3-yl] benzoate;(2R,3R,4R,5R)-3-ethenyl-5-ethyl-2-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-methyloxolan-3-ol;(2R,3R,4R,5R)-3-ethenyl-5-(hydroxymethyl)-2-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]oxolane-3,4-diol;[(2R,3R,4S,5R)-5-ethyl-3-hydroxy-4-methyloxolan-2-yl] benzoate;[(2R,4R,5R)-5-ethyl-4-methyl-3-oxooxolan-2-yl] benzoate
CID 157625443

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine?
The IUPAC name of [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine (CID 157372709) is [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine.
What is the SMILES notation for [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine?
The canonical SMILES for [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine is C.CC[C@H]1OC(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O[P+](=O)O)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1F.CC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1F.CO.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1.C[P+](C)=O.Clc1ncnc2nc[nH]c12.OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1F.[H]N=C(N(C)C)N(C)C.
What is the InChIKey of [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine?
The InChIKey is JZSOZAFQBDONOO-QAOJKDBHSA-O. The full InChI is InChI=1S/C21H19ClO2.C18H16ClFN4O3.C15H17FO5.C11H12ClFN4O2.C11H12FN4O5P.C11H13FN4O3.C10H10ClFN4O3.C5H3ClN4.C5H13N3.C2H6OP.CH4O.CH4/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18;1-2-11-12(20)14(27-18(25)10-6-4-3-5-7-10)17(26-11)24-9-23-13-15(19)21-8-22-16(13)24;1-3-11-12(16)13(15(20-11)19-9(2)17)21-14(18)10-7-5-4-6-8-10;1-2-5-6(13)8(18)11(19-5)17-4-16-7-9(12)14-3-15-10(7)17;1-2-5-6(12)8(21-22(18)19)11(20-5)16-4-15-7-9(16)13-3-14-10(7)17;1-2-5-6(12)8(17)11(19-5)16-4-15-7-9(16)13-3-14-10(7)18;11-8-6-9(14-2-13-8)16(3-15-6)10-7(18)5(12)4(1-17)19-10;6-4-3-5(9-1-7-3)10-2-8-4;1-7(2)5(6)8(3)4;1-4(2)3;1-2;/h3-15H,1-2H3;3-9,11-12,14,17H,2H2,1H3;4-8,11-13,15H,3H2,1-2H3;3-6,8,11,18H,2H2,1H3;3-6,8,11H,2H2,1H3,(H-,13,14,17,18,19);3-6,8,11,17H,2H2,1H3,(H,13,14,18);2-5,7,10,17-18H,1H2;1-2H,(H,7,8,9,10);6H,1-4H3;1-2H3;2H,1H3;1H4/q;;;;;;;;;+1;;/p+1/t;11-,12-,14-,17-;11-,12-,13-,15?;3*5-,6-,8-,11-;4-,5-,7-,10-;;;;;/m.111111...../s1.
What are the key properties of [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine?
[(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine has a molecular weight of 2595.63 g/mol, XLogP of 15.68, 23 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5R)-2-acetyloxy-5-ethyl-4-fluorooxolan-3-yl] benzoate;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;6-chloro-7H-purine;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-ol;[(2R,3S,4R,5R)-2-(6-chloropurin-9-yl)-5-ethyl-4-fluorooxolan-3-yl] benzoate;(2R,3S,4S,5R)-2-(6-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol;dimethyl(oxo)phosphanium;9-[(2R,3S,4S,5R)-5-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]-1H-purin-6-one;[(2R,3S,4R,5R)-5-ethyl-4-fluoro-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;methane;methanol;1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 157372709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).