[2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane

C175H234Cl10F2N45O72P19S3 — CID 158594144

IUPAC[2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane
SMILESCN(Cc1ccccc1)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O.CN(c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O)C1CCCC1.C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O)c1ccc(F)cc1.C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O)c1ccccc1.O=C1c2ccccc2-c2cc(Nc3nc(Cl)nc4c3ncn4[C@@H]3O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C3O)ccc21.O=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(N4CCCC4)nc(Cl)nc32)C(O)[C@H]1O.O=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)C(O)[C@H]1O.O=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4Cl)nc(Cl)nc32)C(O)[C@H]1O.S.S.S.[H]P=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(N[C@@H](C)c4ccccc4F)nc(Cl)nc32)C(O)[C@H]1O
InChIInChI=1S/C25H24ClN5O9P2.C20H25ClFN5O8P2.C20H26ClFN5O7P3.2C20H26ClN5O8P2.C19H23Cl2N5O8P2.C18H28ClN5O8P2.C17H26ClN5O8P2.C16H24ClN5O8P2.3H2S/c26-25-29-22(28-12-5-6-15-16(9-12)13-3-1-2-4-14(13)19(15)32)18-23(30-25)31(10-27-18)24-21(34)20(33)17(40-24)7-8-41(35,36)11-42(37,38)39;1-10(11-2-4-12(22)5-3-11)24-17-14-18(26-20(21)25-17)27(8-23-14)19-16(29)15(28)13(35-19)6-7-36(30,31)9-37(32,33)34;1-10(11-4-2-3-5-12(11)22)24-17-14-18(26-20(21)25-17)27(8-23-14)19-16(29)15(28)13(34-19)6-7-36(30,31)9-37(32,33)35;1-25(9-12-5-3-2-4-6-12)17-14-18(24-20(21)23-17)26(10-22-14)19-16(28)15(27)13(34-19)7-8-35(29,30)11-36(31,32)33;1-11(12-5-3-2-4-6-12)23-17-14-18(25-20(21)24-17)26(9-22-14)19-16(28)15(27)13(34-19)7-8-35(29,30)10-36(31,32)33;20-11-4-2-1-3-10(11)7-22-16-13-17(25-19(21)24-16)26(8-23-13)18-15(28)14(27)12(34-18)5-6-35(29,30)9-36(31,32)33;1-23(10-4-2-3-5-10)15-12-16(22-18(19)21-15)24(8-20-12)17-14(26)13(25)11(32-17)6-7-33(27,28)9-34(29,30)31;18-17-21-14(20-9-3-1-2-4-9)11-15(22-17)23(7-19-11)16-13(25)12(24)10(31-16)5-6-32(26,27)8-33(28,29)30;17-16-19-13(21-4-1-2-5-21)10-14(20-16)22(7-18-10)15-12(24)11(23)9(30-15)3-6-31(25,26)8-32(27,28)29;;;/h1-6,9-10,17,20-21,24,33-34H,7-8,11H2,(H,35,36)(H,28,29,30)(H2,37,38,39);2-5,8,10,13,15-16,19,28-29H,6-7,9H2,1H3,(H,30,31)(H,24,25,26)(H2,32,33,34);2-5,8,10,13,15-16,19,28-29,32-33,35H,6-7,9H2,1H3,(H,30,31)(H,24,25,26);2-6,10,13,15-16,19,27-28H,7-9,11H2,1H3,(H,29,30)(H2,31,32,33);2-6,9,11,13,15-16,19,27-28H,7-8,10H2,1H3,(H,29,30)(H,23,24,25)(H2,31,32,33);1-4,8,12,14-15,18,27-28H,5-7,9H2,(H,29,30)(H,22,24,25)(H2,31,32,33);8,10-11,13-14,17,25-26H,2-7,9H2,1H3,(H,27,28)(H2,29,30,31);7,9-10,12-13,16,24-25H,1-6,8H2,(H,26,27)(H,20,21,22)(H2,28,29,30);7,9,11-12,15,23-24H,1-6,8H2,(H,25,26)(H2,27,28,29);3*1H2/t17-,20+,21?,24-;2*10-,13+,15-,16?,19+;13-,15+,16?,19-;11-,13+,15-,16?,19+;12-,14+,15?,18-;11-,13+,14?,17-;10-,12+,13?,16-;9-,11+,12?,15-;;;/m100101111.../s1
InChIKeyHUUSPKWISVGKJJ-YAUYXDFFSA-N
MW5197.27 g/mol
LogP17.09
Rot. Bonds76

About [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane

[2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane (PubChem CID 158594144) has the molecular formula C175H234Cl10F2N45O72P19S3 and a molecular weight of 5197.27 g/mol. Its IUPAC name is [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane.

Molecular Properties

Compound Name[2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane
PubChem CID158594144
Molecular FormulaC175H234Cl10F2N45O72P19S3
Molecular Weight5197.27 g/mol
Exact Mass5189.71
IUPAC Name[2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane
SMILESCN(Cc1ccccc1)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O.CN(c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O)C1CCCC1.C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O)c1ccc(F)cc1.C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O)c1ccccc1.O=C1c2ccccc2-c2cc(Nc3nc(Cl)nc4c3ncn4[C@@H]3O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C3O)ccc21.O=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(N4CCCC4)nc(Cl)nc32)C(O)[C@H]1O.O=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)C(O)[C@H]1O.O=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4Cl)nc(Cl)nc32)C(O)[C@H]1O.S.S.S.[H]P=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(N[C@@H](C)c4ccccc4F)nc(Cl)nc32)C(O)[C@H]1O
InChIInChI=1S/C25H24ClN5O9P2.C20H25ClFN5O8P2.C20H26ClFN5O7P3.2C20H26ClN5O8P2.C19H23Cl2N5O8P2.C18H28ClN5O8P2.C17H26ClN5O8P2.C16H24ClN5O8P2.3H2S/c26-25-29-22(28-12-5-6-15-16(9-12)13-3-1-2-4-14(13)19(15)32)18-23(30-25)31(10-27-18)24-21(34)20(33)17(40-24)7-8-41(35,36)11-42(37,38)39;1-10(11-2-4-12(22)5-3-11)24-17-14-18(26-20(21)25-17)27(8-23-14)19-16(29)15(28)13(35-19)6-7-36(30,31)9-37(32,33)34;1-10(11-4-2-3-5-12(11)22)24-17-14-18(26-20(21)25-17)27(8-23-14)19-16(29)15(28)13(34-19)6-7-36(30,31)9-37(32,33)35;1-25(9-12-5-3-2-4-6-12)17-14-18(24-20(21)23-17)26(10-22-14)19-16(28)15(27)13(34-19)7-8-35(29,30)11-36(31,32)33;1-11(12-5-3-2-4-6-12)23-17-14-18(25-20(21)24-17)26(9-22-14)19-16(28)15(27)13(34-19)7-8-35(29,30)10-36(31,32)33;20-11-4-2-1-3-10(11)7-22-16-13-17(25-19(21)24-16)26(8-23-13)18-15(28)14(27)12(34-18)5-6-35(29,30)9-36(31,32)33;1-23(10-4-2-3-5-10)15-12-16(22-18(19)21-15)24(8-20-12)17-14(26)13(25)11(32-17)6-7-33(27,28)9-34(29,30)31;18-17-21-14(20-9-3-1-2-4-9)11-15(22-17)23(7-19-11)16-13(25)12(24)10(31-16)5-6-32(26,27)8-33(28,29)30;17-16-19-13(21-4-1-2-5-21)10-14(20-16)22(7-18-10)15-12(24)11(23)9(30-15)3-6-31(25,26)8-32(27,28)29;;;/h1-6,9-10,17,20-21,24,33-34H,7-8,11H2,(H,35,36)(H,28,29,30)(H2,37,38,39);2-5,8,10,13,15-16,19,28-29H,6-7,9H2,1H3,(H,30,31)(H,24,25,26)(H2,32,33,34);2-5,8,10,13,15-16,19,28-29,32-33,35H,6-7,9H2,1H3,(H,30,31)(H,24,25,26);2-6,10,13,15-16,19,27-28H,7-9,11H2,1H3,(H,29,30)(H2,31,32,33);2-6,9,11,13,15-16,19,27-28H,7-8,10H2,1H3,(H,29,30)(H,23,24,25)(H2,31,32,33);1-4,8,12,14-15,18,27-28H,5-7,9H2,(H,29,30)(H,22,24,25)(H2,31,32,33);8,10-11,13-14,17,25-26H,2-7,9H2,1H3,(H,27,28)(H2,29,30,31);7,9-10,12-13,16,24-25H,1-6,8H2,(H,26,27)(H,20,21,22)(H2,28,29,30);7,9,11-12,15,23-24H,1-6,8H2,(H,25,26)(H2,27,28,29);3*1H2/t17-,20+,21?,24-;2*10-,13+,15-,16?,19+;13-,15+,16?,19-;11-,13+,15-,16?,19+;12-,14+,15?,18-;11-,13+,14?,17-;10-,12+,13?,16-;9-,11+,12?,15-;;;/m100101111.../s1
InChIKeyHUUSPKWISVGKJJ-YAUYXDFFSA-N
XLogP17.09
TPSA1774.98 Ų
H-Bond Donors51
H-Bond Acceptors90
Rotatable Bonds76
Heavy Atoms326
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005197.27
LogP ≤ 517.09
H-Bond Donors ≤ 551
H-Bond Acceptors ≤ 1090

Analyze [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane?
The IUPAC name of [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane (CID 158594144) is [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane.
What is the SMILES notation for [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane?
The canonical SMILES for [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane is CN(Cc1ccccc1)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O.CN(c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O)C1CCCC1.C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O)c1ccc(F)cc1.C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C1O)c1ccccc1.O=C1c2ccccc2-c2cc(Nc3nc(Cl)nc4c3ncn4[C@@H]3O[C@H](CCP(=O)(O)CP(=O)(O)O)[C@H](O)C3O)ccc21.O=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(N4CCCC4)nc(Cl)nc32)C(O)[C@H]1O.O=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)C(O)[C@H]1O.O=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4Cl)nc(Cl)nc32)C(O)[C@H]1O.S.S.S.[H]P=P(O)(O)CP(=O)(O)CC[C@H]1O[C@@H](n2cnc3c(N[C@@H](C)c4ccccc4F)nc(Cl)nc32)C(O)[C@H]1O.
What is the InChIKey of [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane?
The InChIKey is HUUSPKWISVGKJJ-YAUYXDFFSA-N. The full InChI is InChI=1S/C25H24ClN5O9P2.C20H25ClFN5O8P2.C20H26ClFN5O7P3.2C20H26ClN5O8P2.C19H23Cl2N5O8P2.C18H28ClN5O8P2.C17H26ClN5O8P2.C16H24ClN5O8P2.3H2S/c26-25-29-22(28-12-5-6-15-16(9-12)13-3-1-2-4-14(13)19(15)32)18-23(30-25)31(10-27-18)24-21(34)20(33)17(40-24)7-8-41(35,36)11-42(37,38)39;1-10(11-2-4-12(22)5-3-11)24-17-14-18(26-20(21)25-17)27(8-23-14)19-16(29)15(28)13(35-19)6-7-36(30,31)9-37(32,33)34;1-10(11-4-2-3-5-12(11)22)24-17-14-18(26-20(21)25-17)27(8-23-14)19-16(29)15(28)13(34-19)6-7-36(30,31)9-37(32,33)35;1-25(9-12-5-3-2-4-6-12)17-14-18(24-20(21)23-17)26(10-22-14)19-16(28)15(27)13(34-19)7-8-35(29,30)11-36(31,32)33;1-11(12-5-3-2-4-6-12)23-17-14-18(25-20(21)24-17)26(9-22-14)19-16(28)15(27)13(34-19)7-8-35(29,30)10-36(31,32)33;20-11-4-2-1-3-10(11)7-22-16-13-17(25-19(21)24-16)26(8-23-13)18-15(28)14(27)12(34-18)5-6-35(29,30)9-36(31,32)33;1-23(10-4-2-3-5-10)15-12-16(22-18(19)21-15)24(8-20-12)17-14(26)13(25)11(32-17)6-7-33(27,28)9-34(29,30)31;18-17-21-14(20-9-3-1-2-4-9)11-15(22-17)23(7-19-11)16-13(25)12(24)10(31-16)5-6-32(26,27)8-33(28,29)30;17-16-19-13(21-4-1-2-5-21)10-14(20-16)22(7-18-10)15-12(24)11(23)9(30-15)3-6-31(25,26)8-32(27,28)29;;;/h1-6,9-10,17,20-21,24,33-34H,7-8,11H2,(H,35,36)(H,28,29,30)(H2,37,38,39);2-5,8,10,13,15-16,19,28-29H,6-7,9H2,1H3,(H,30,31)(H,24,25,26)(H2,32,33,34);2-5,8,10,13,15-16,19,28-29,32-33,35H,6-7,9H2,1H3,(H,30,31)(H,24,25,26);2-6,10,13,15-16,19,27-28H,7-9,11H2,1H3,(H,29,30)(H2,31,32,33);2-6,9,11,13,15-16,19,27-28H,7-8,10H2,1H3,(H,29,30)(H,23,24,25)(H2,31,32,33);1-4,8,12,14-15,18,27-28H,5-7,9H2,(H,29,30)(H,22,24,25)(H2,31,32,33);8,10-11,13-14,17,25-26H,2-7,9H2,1H3,(H,27,28)(H2,29,30,31);7,9-10,12-13,16,24-25H,1-6,8H2,(H,26,27)(H,20,21,22)(H2,28,29,30);7,9,11-12,15,23-24H,1-6,8H2,(H,25,26)(H2,27,28,29);3*1H2/t17-,20+,21?,24-;2*10-,13+,15-,16?,19+;13-,15+,16?,19-;11-,13+,15-,16?,19+;12-,14+,15?,18-;11-,13+,14?,17-;10-,12+,13?,16-;9-,11+,12?,15-;;;/m100101111.../s1.
What are the key properties of [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane?
[2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane has a molecular weight of 5197.27 g/mol, XLogP of 17.09, 76 rotatable bonds, 51 hydrogen bond donors, and 90 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,3R,5R)-5-[6-[benzyl(methyl)amino]-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[cyclopentyl(methyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-[[dihydroxy(phosphanylidene)-λ5-phosphanyl]methyl]phosphinic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-[2-chloro-6-[[(1S)-1-phenylethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;[2-[(2R,3R,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid;sulfane is sourced from PubChem (CID 158594144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).