About (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane
(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane (PubChem CID 159595587) has the molecular formula C200H246F8N40O21
and a molecular weight of 3698.41 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane.
Frequently Asked Questions
What is the IUPAC name of (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane?
The IUPAC name of (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane (CID 159595587) is (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane.
What is the SMILES notation for (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane?
The canonical SMILES for (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane is C.C.C.C.C.C.C.C.CC[C@H]1O[C@@H](N2C=NC3/C(=N/C(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)NC=NC32)[C@H](F)[C@@H]1C.CC[C@H]1O[C@@H](N2C=NC3C(N)=NC=NC32)[C@H](F)[C@@H]1C.CC[C@]1(CO)O[C@@H](N2C=NC3/C(=N/C(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)NC=NC32)[C@H](F)[C@@H]1C.COc1ccc(C(/N=C2\NC=NC3C2N=CN3[C@@H]2OC(CO)(CO)[C@@H](C)[C@H]2F)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(/N=C2\NC=NC3C2N=CN3[C@@H]2O[C@H](C=O)[C@@H](C)[C@H]2F)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(/N=C2\NC=NC3C2N=CN3[C@@H]2O[C@H](CO)[C@@H](C)[C@H]2F)(c2ccccc2)c2ccccc2)cc1.C[C@H]1[C@@H](F)[C@H](N2C=NC3C(N)=NC=NC32)O[C@@H]1CO.NC1=NC=NC2C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F.
What is the InChIKey of (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane?
The InChIKey is MKUJBULYKFBUGP-JIXLVDRFSA-N. The full InChI is InChI=1S/C33H36FN5O3.C32H34FN5O4.C32H34FN5O2.C31H32FN5O3.C31H30FN5O3.C12H18FN5O.C11H16FN5O2.C10H14FN5O3.8CH4/c1-4-32(19-40)22(2)27(34)31(42-32)39-21-37-28-29(35-20-36-30(28)39)38-33(23-11-7-5-8-12-23,24-13-9-6-10-14-24)25-15-17-26(41-3)18-16-25;1-21-26(33)30(42-31(21,17-39)18-40)38-20-36-27-28(34-19-35-29(27)38)37-32(22-9-5-3-6-10-22,23-11-7-4-8-12-23)24-13-15-25(41-2)16-14-24;1-4-26-21(2)27(33)31(40-26)38-20-36-28-29(34-19-35-30(28)38)37-32(22-11-7-5-8-12-22,23-13-9-6-10-14-23)24-15-17-25(39-3)18-16-24;2*1-20-25(17-38)40-30(26(20)32)37-19-35-27-28(33-18-34-29(27)37)36-31(21-9-5-3-6-10-21,22-11-7-4-8-12-22)23-13-15-24(39-2)16-14-23;1-3-7-6(2)8(13)12(19-7)18-5-17-9-10(14)15-4-16-11(9)18;1-5-6(2-18)19-11(7(5)12)17-4-16-8-9(13)14-3-15-10(8)17;11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16;;;;;;;;/h5-18,20-22,27-28,30-31,40H,4,19H2,1-3H3,(H,35,36,38);3-16,19-21,26-27,29-30,39-40H,17-18H2,1-2H3,(H,34,35,37);5-21,26-28,30-31H,4H2,1-3H3,(H,34,35,37);3-16,18-20,25-27,29-30,38H,17H2,1-2H3,(H,33,34,36);3-20,25-27,29-30H,1-2H3,(H,33,34,36);4-9,11-12H,3H2,1-2H3,(H2,14,15,16);3-8,10-11,18H,2H2,1H3,(H2,13,14,15);2-7,9-10,17-18H,1H2,(H2,12,13,14);8*1H4/t22-,27+,28?,30?,31+,32+;21-,26+,27?,29?,30+;21-,26-,27-,28?,30?,31-;2*20-,25-,26-,27?,29?,30-;6-,7-,8-,9?,11?,12-;5-,6-,7-,8?,10?,11-;4-,5-,6?,7-,9?,10-;;;;;;;;/m00111111......../s1.
What are the key properties of (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane?
(2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane has a molecular weight of 3698.41 g/mol, XLogP of 23.08, 43 rotatable bonds, 15 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3R,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3R,4R,5R)-2-ethyl-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-4,5-dihydropurin-6-amine;9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]-4,5-dihydro-1H-purin-6-imine;[(3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolane-2-carbaldehyde;[(2S,3R,4R,5R)-4-fluoro-5-[6-[(4-methoxyphenyl)-diphenylmethyl]imino-4,5-dihydro-1H-purin-9-yl]-3-methyloxolan-2-yl]methanol;methane is sourced from PubChem (CID 159595587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).