2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde

C192H198F8N40O29 — CID 159454690

About 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde

2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde (PubChem CID 159454690) has the molecular formula C192H198F8N40O29 and a molecular weight of 3681.93 g/mol. Its IUPAC name is 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde.

Molecular Properties

• Compound Name: 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde
• PubChem CID: 159454690
• Molecular Formula: C192H198F8N40O29
• Molecular Weight: 3681.93 g/mol
• Exact Mass: 3679.51
• IUPAC Name: 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde
• SMILES: CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](F)[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)[C@H](F)[C@@H]1C.CC[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)[C@H](F)[C@@H]1C.COc1ccc(C(Nc2nc3c(ncn3[C@@H]3OC(CO)(CO)[C@@H](C)[C@H]3F)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@H](C=O)[C@@H](C)[C@H]3F)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@H](CO)[C@@H](C)[C@H]3F)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1.C[C@H]1[C@@H](F)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO.Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]1
• InChI: InChI=1S/C33H34FN5O4.C32H32FN5O5.C32H32FN5O3.C31H30FN5O4.C31H28FN5O4.C12H16FN5O2.C11H14FN5O3.C10H12FN5O4/c1-4-32(19-40)21(2)26(34)30(43-32)39-20-35-27-28(39)36-31(37-29(27)41)38-33(22-11-7-5-8-12-22,23-13-9-6-10-14-23)24-15-17-25(42-3)18-16-24;1-20-25(33)29(43-31(20,17-39)18-40)38-19-34-26-27(38)35-30(36-28(26)41)37-32(21-9-5-3-6-10-21,22-11-7-4-8-12-22)23-13-15-24(42-2)16-14-23;1-4-25-20(2)26(33)30(41-25)38-19-34-27-28(38)35-31(36-29(27)39)37-32(21-11-7-5-8-12-21,22-13-9-6-10-14-22)23-15-17-24(40-3)18-16-23;2*1-19-24(17-38)41-29(25(19)32)37-18-33-26-27(37)34-30(35-28(26)39)36-31(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-13-15-23(40-2)16-14-22;1-3-6-5(2)7(13)11(20-6)18-4-15-8-9(18)16-12(14)17-10(8)19;1-4-5(2-18)20-10(6(4)12)17-3-14-7-8(17)15-11(13)16-9(7)19;11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h5-18,20-21,26,30,40H,4,19H2,1-3H3,(H2,36,37,38,41);3-16,19-20,25,29,39-40H,17-18H2,1-2H3,(H2,35,36,37,41);5-20,25-26,30H,4H2,1-3H3,(H2,35,36,37,39);3-16,18-19,24-25,29,38H,17H2,1-2H3,(H2,34,35,36,39);3-19,24-25,29H,1-2H3,(H2,34,35,36,39);4-7,11H,3H2,1-2H3,(H3,14,16,17,19);3-6,10,18H,2H2,1H3,(H3,13,15,16,19);2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t21-,26+,30+,32+;20-,25+,29+;20-,25-,26-,30-;2*19-,24-,25-,29-;5-,6-,7-,11-;4-,5-,6-,10-;3-,4-,6-,9-/m00111111/s1
• InChIKey: LTUXSNAZDQIBPE-CRUHNPTMSA-N
• XLogP: 22.59
• TPSA: 925.44 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 61
• Rotatable Bonds: 48
• Heavy Atoms: 269
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3681.93
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	61

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde?

The IUPAC name of 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde (CID 159454690) is 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde.

What is the SMILES notation for 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde?

The canonical SMILES for 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde is CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](F)[C@@H]1C.CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)[C@H](F)[C@@H]1C.CC[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)[C@H](F)[C@@H]1C.COc1ccc(C(Nc2nc3c(ncn3[C@@H]3OC(CO)(CO)[C@@H](C)[C@H]3F)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@H](C=O)[C@@H](C)[C@H]3F)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@H](CO)[C@@H](C)[C@H]3F)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1.C[C@H]1[C@@H](F)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO.Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]1.

What is the InChIKey of 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde?

The InChIKey is LTUXSNAZDQIBPE-CRUHNPTMSA-N. The full InChI is InChI=1S/C33H34FN5O4.C32H32FN5O5.C32H32FN5O3.C31H30FN5O4.C31H28FN5O4.C12H16FN5O2.C11H14FN5O3.C10H12FN5O4/c1-4-32(19-40)21(2)26(34)30(43-32)39-20-35-27-28(39)36-31(37-29(27)41)38-33(22-11-7-5-8-12-22,23-13-9-6-10-14-23)24-15-17-25(42-3)18-16-24;1-20-25(33)29(43-31(20,17-39)18-40)38-19-34-26-27(38)35-30(36-28(26)41)37-32(21-9-5-3-6-10-21,22-11-7-4-8-12-22)23-13-15-24(42-2)16-14-23;1-4-25-20(2)26(33)30(41-25)38-19-34-27-28(38)35-31(36-29(27)39)37-32(21-11-7-5-8-12-21,22-13-9-6-10-14-22)23-15-17-24(40-3)18-16-23;2*1-19-24(17-38)41-29(25(19)32)37-18-33-26-27(37)34-30(35-28(26)39)36-31(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-13-15-23(40-2)16-14-22;1-3-6-5(2)7(13)11(20-6)18-4-15-8-9(18)16-12(14)17-10(8)19;1-4-5(2-18)20-10(6(4)12)17-3-14-7-8(17)15-11(13)16-9(7)19;11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h5-18,20-21,26,30,40H,4,19H2,1-3H3,(H2,36,37,38,41);3-16,19-20,25,29,39-40H,17-18H2,1-2H3,(H2,35,36,37,41);5-20,25-26,30H,4H2,1-3H3,(H2,35,36,37,39);3-16,18-19,24-25,29,38H,17H2,1-2H3,(H2,34,35,36,39);3-19,24-25,29H,1-2H3,(H2,34,35,36,39);4-7,11H,3H2,1-2H3,(H3,14,16,17,19);3-6,10,18H,2H2,1H3,(H3,13,15,16,19);2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t21-,26+,30+,32+;20-,25+,29+;20-,25-,26-,30-;2*19-,24-,25-,29-;5-,6-,7-,11-;4-,5-,6-,10-;3-,4-,6-,9-/m00111111/s1.

What are the key properties of 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde?

2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde has a molecular weight of 3681.93 g/mol, XLogP of 22.59, 48 rotatable bonds, 23 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;2-amino-9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R)-3-fluoro-5,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;9-[(2R,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1H-purin-6-one;(2S,3R,4R,5R)-4-fluoro-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-oxo-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde is sourced from PubChem (CID 159454690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).