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

C204H230F7N45O45P4Si — CID 157352121

IUPAC5-(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
SMILESCCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(F)C1O.CCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(F)C1O.CCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(F)C1OP(OC)OC.COP(C)OC.COc1ccc(C(OCC2OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2OP(=O)(CCC2OC(n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C(O)C2C)OC)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC2OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2OP(=O)(CCC2OC(n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C(O[Si](C(C)C)(C(C)C)C(C)C)C2O)OC)(c2ccccc2)c2ccc(OC)cc2)cc1.Nc1ncnc2c1ncn2C1OC(CO)C(O)C1F.O=C(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1F)c1ccccc1
InChIInChI=1S/C63H76FN10O13PSi.C55H58FN10O12P.C20H23FN5O5P.2C18H18FN5O3.C17H16FN5O4.C10H12FN5O3.C3H9O2P/c1-36(2)57(76)71-62-70-56-50(59(78)72-62)68-35-74(56)61-53(87-89(37(3)4,38(5)6)39(7)8)51(75)46(84-61)30-31-88(79,82-11)86-52-47(85-60(48(52)64)73-34-67-49-54(65-33-66-55(49)73)69-58(77)40-18-14-12-15-19-40)32-83-63(41-20-16-13-17-21-41,42-22-26-44(80-9)27-23-42)43-24-28-45(81-10)29-25-43;1-31(2)49(68)63-54-62-48-43(51(70)64-54)60-30-66(48)53-44(67)32(3)39(76-53)25-26-79(71,74-6)78-45-40(77-52(41(45)56)65-29-59-42-46(57-28-58-47(42)65)61-50(69)33-13-9-7-10-14-33)27-75-55(34-15-11-8-12-16-34,35-17-21-37(72-4)22-18-35)36-19-23-38(73-5)24-20-36;1-4-13-16(31-32(28-2)29-3)14(21)20(30-13)26-11-24-15-17(22-10-23-18(15)26)25-19(27)12-8-6-5-7-9-12;2*1-2-11-14(25)12(19)18(27-11)24-9-22-13-15(20-8-21-16(13)24)23-17(26)10-6-4-3-5-7-10;18-11-13(25)10(6-24)27-17(11)23-8-21-12-14(19-7-20-15(12)23)22-16(26)9-4-2-1-3-5-9;11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16;1-4-6(3)5-2/h12-29,33-39,46-48,51-53,60-61,75H,30-32H2,1-11H3,(H,65,66,69,77)(H2,70,71,72,76,78);7-24,28-32,39-41,44-45,52-53,67H,25-27H2,1-6H3,(H,57,58,61,69)(H2,62,63,64,68,70);5-11,13-14,16,20H,4H2,1-3H3,(H,22,23,25,27);2*3-9,11-12,14,18,25H,2H2,1H3,(H,20,21,23,26);1-5,7-8,10-11,13,17,24-25H,6H2,(H,19,20,22,26);2-5,7,10,17-18H,1H2,(H2,12,13,14);1-3H3
InChIKeyBHQUNRZDWPFCFY-UHFFFAOYSA-N
MW4317.32 g/mol
LogP26.76
Rot. Bonds69

About 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

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 (PubChem CID 157352121) has the molecular formula C204H230F7N45O45P4Si and a molecular weight of 4317.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID157352121
Molecular FormulaC204H230F7N45O45P4Si
Molecular Weight4317.32 g/mol
Exact Mass4314.57
IUPAC Name5-(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
SMILESCCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(F)C1O.CCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(F)C1O.CCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(F)C1OP(OC)OC.COP(C)OC.COc1ccc(C(OCC2OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2OP(=O)(CCC2OC(n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C(O)C2C)OC)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC2OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2OP(=O)(CCC2OC(n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C(O[Si](C(C)C)(C(C)C)C(C)C)C2O)OC)(c2ccccc2)c2ccc(OC)cc2)cc1.Nc1ncnc2c1ncn2C1OC(CO)C(O)C1F.O=C(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1F)c1ccccc1
InChIInChI=1S/C63H76FN10O13PSi.C55H58FN10O12P.C20H23FN5O5P.2C18H18FN5O3.C17H16FN5O4.C10H12FN5O3.C3H9O2P/c1-36(2)57(76)71-62-70-56-50(59(78)72-62)68-35-74(56)61-53(87-89(37(3)4,38(5)6)39(7)8)51(75)46(84-61)30-31-88(79,82-11)86-52-47(85-60(48(52)64)73-34-67-49-54(65-33-66-55(49)73)69-58(77)40-18-14-12-15-19-40)32-83-63(41-20-16-13-17-21-41,42-22-26-44(80-9)27-23-42)43-24-28-45(81-10)29-25-43;1-31(2)49(68)63-54-62-48-43(51(70)64-54)60-30-66(48)53-44(67)32(3)39(76-53)25-26-79(71,74-6)78-45-40(77-52(41(45)56)65-29-59-42-46(57-28-58-47(42)65)61-50(69)33-13-9-7-10-14-33)27-75-55(34-15-11-8-12-16-34,35-17-21-37(72-4)22-18-35)36-19-23-38(73-5)24-20-36;1-4-13-16(31-32(28-2)29-3)14(21)20(30-13)26-11-24-15-17(22-10-23-18(15)26)25-19(27)12-8-6-5-7-9-12;2*1-2-11-14(25)12(19)18(27-11)24-9-22-13-15(20-8-21-16(13)24)23-17(26)10-6-4-3-5-7-10;18-11-13(25)10(6-24)27-17(11)23-8-21-12-14(19-7-20-15(12)23)22-16(26)9-4-2-1-3-5-9;11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16;1-4-6(3)5-2/h12-29,33-39,46-48,51-53,60-61,75H,30-32H2,1-11H3,(H,65,66,69,77)(H2,70,71,72,76,78);7-24,28-32,39-41,44-45,52-53,67H,25-27H2,1-6H3,(H,57,58,61,69)(H2,62,63,64,68,70);5-11,13-14,16,20H,4H2,1-3H3,(H,22,23,25,27);2*3-9,11-12,14,18,25H,2H2,1H3,(H,20,21,23,26);1-5,7-8,10-11,13,17,24-25H,6H2,(H,19,20,22,26);2-5,7,10,17-18H,1H2,(H2,12,13,14);1-3H3
InChIKeyBHQUNRZDWPFCFY-UHFFFAOYSA-N
XLogP26.76
TPSA1117.89 Ų
H-Bond Donors19
H-Bond Acceptors80
Rotatable Bonds69
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004317.32
LogP ≤ 526.76
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1080

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(F)C1O.CCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(F)C1O.CCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(F)C1OP(OC)OC.COP(C)OC.COc1ccc(C(OCC2OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2OP(=O)(CCC2OC(n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C(O)C2C)OC)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC2OC(n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2OP(=O)(CCC2OC(n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C(O[Si](C(C)C)(C(C)C)C(C)C)C2O)OC)(c2ccccc2)c2ccc(OC)cc2)cc1.Nc1ncnc2c1ncn2C1OC(CO)C(O)C1F.O=C(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1F)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is BHQUNRZDWPFCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H76FN10O13PSi.C55H58FN10O12P.C20H23FN5O5P.2C18H18FN5O3.C17H16FN5O4.C10H12FN5O3.C3H9O2P/c1-36(2)57(76)71-62-70-56-50(59(78)72-62)68-35-74(56)61-53(87-89(37(3)4,38(5)6)39(7)8)51(75)46(84-61)30-31-88(79,82-11)86-52-47(85-60(48(52)64)73-34-67-49-54(65-33-66-55(49)73)69-58(77)40-18-14-12-15-19-40)32-83-63(41-20-16-13-17-21-41,42-22-26-44(80-9)27-23-42)43-24-28-45(81-10)29-25-43;1-31(2)49(68)63-54-62-48-43(51(70)64-54)60-30-66(48)53-44(67)32(3)39(76-53)25-26-79(71,74-6)78-45-40(77-52(41(45)56)65-29-59-42-46(57-28-58-47(42)65)61-50(69)33-13-9-7-10-14-33)27-75-55(34-15-11-8-12-16-34,35-17-21-37(72-4)22-18-35)36-19-23-38(73-5)24-20-36;1-4-13-16(31-32(28-2)29-3)14(21)20(30-13)26-11-24-15-17(22-10-23-18(15)26)25-19(27)12-8-6-5-7-9-12;2*1-2-11-14(25)12(19)18(27-11)24-9-22-13-15(20-8-21-16(13)24)23-17(26)10-6-4-3-5-7-10;18-11-13(25)10(6-24)27-17(11)23-8-21-12-14(19-7-20-15(12)23)22-16(26)9-4-2-1-3-5-9;11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16;1-4-6(3)5-2/h12-29,33-39,46-48,51-53,60-61,75H,30-32H2,1-11H3,(H,65,66,69,77)(H2,70,71,72,76,78);7-24,28-32,39-41,44-45,52-53,67H,25-27H2,1-6H3,(H,57,58,61,69)(H2,62,63,64,68,70);5-11,13-14,16,20H,4H2,1-3H3,(H,22,23,25,27);2*3-9,11-12,14,18,25H,2H2,1H3,(H,20,21,23,26);1-5,7-8,10-11,13,17,24-25H,6H2,(H,19,20,22,26);2-5,7,10,17-18H,1H2,(H2,12,13,14);1-3H3.
What are the key properties of 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?
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 has a molecular weight of 4317.32 g/mol, XLogP of 26.76, 69 rotatable bonds, 19 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157352121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).