(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

C132H139Cl3F8N24O24 — CID 160722477

IUPAC(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
SMILESCC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(C)=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.CCc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)ccc1Cl.CCc1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](O)[C@@H]1O.CO[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](O)[C@@H]1O
InChIInChI=1S/C46H58N4O8.C22H18ClF3N2O2.C22H21ClN4O3.C21H16ClF3N4O3.C11H14FN5O4.C10H12FN5O4/c1-8-42(54)23-29-24-45(27(3)51,37-31(15-19-49(25-29)26-42)30-13-10-11-14-34(30)47-37)33-21-32-35(22-36(33)56-6)48(5)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-28(4)52)46(39,55)41(53)57-7;1-2-14-4-3-5-18(12-14)30-17-9-6-15(7-10-17)27-21(29)28-16-8-11-20(23)19(13-16)22(24,25)26;1-3-14-12-16(6-9-19(14)23)27-22(29)26-15-4-7-17(8-5-15)30-18-10-11-25-20(13-18)21(28)24-2;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-20-2-4-6(18)7(19)10(21-4)17-3-14-5-8(13)15-11(12)16-9(5)17;1-19-9-5(18)4(17)8(20-9)16-2-13-3-6(12)14-10(11)15-7(3)16/h10-14,16,21-22,29,38-40,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;3-13H,2H2,1H3,(H2,27,28,29);4-13H,3H2,1-2H3,(H,24,28)(H2,26,27,29);2-11H,1H3,(H,26,30)(H2,28,29,31);3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16);2,4-5,8-9,17-18H,1H3,(H2,12,14,15)/t29-,38-,39+,40+,42-,43+,44+,45-,46-;;;;4-,6-,7+,10-;4-,5-,8+,9-/m0...10/s1
InChIKeyRTGXFSKOUGCMHG-JQFGDXMUSA-N
MW2704.05 g/mol
LogP19.99
Rot. Bonds28

About (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate (PubChem CID 160722477) has the molecular formula C132H139Cl3F8N24O24 and a molecular weight of 2704.05 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
PubChem CID160722477
Molecular FormulaC132H139Cl3F8N24O24
Molecular Weight2704.05 g/mol
Exact Mass2700.93
IUPAC Name(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
SMILESCC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(C)=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.CCc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)ccc1Cl.CCc1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](O)[C@@H]1O.CO[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](O)[C@@H]1O
InChIInChI=1S/C46H58N4O8.C22H18ClF3N2O2.C22H21ClN4O3.C21H16ClF3N4O3.C11H14FN5O4.C10H12FN5O4/c1-8-42(54)23-29-24-45(27(3)51,37-31(15-19-49(25-29)26-42)30-13-10-11-14-34(30)47-37)33-21-32-35(22-36(33)56-6)48(5)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-28(4)52)46(39,55)41(53)57-7;1-2-14-4-3-5-18(12-14)30-17-9-6-15(7-10-17)27-21(29)28-16-8-11-20(23)19(13-16)22(24,25)26;1-3-14-12-16(6-9-19(14)23)27-22(29)26-15-4-7-17(8-5-15)30-18-10-11-25-20(13-18)21(28)24-2;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-20-2-4-6(18)7(19)10(21-4)17-3-14-5-8(13)15-11(12)16-9(5)17;1-19-9-5(18)4(17)8(20-9)16-2-13-3-6(12)14-10(11)15-7(3)16/h10-14,16,21-22,29,38-40,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;3-13H,2H2,1H3,(H2,27,28,29);4-13H,3H2,1-2H3,(H,24,28)(H2,26,27,29);2-11H,1H3,(H,26,30)(H2,28,29,31);3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16);2,4-5,8-9,17-18H,1H3,(H2,12,14,15)/t29-,38-,39+,40+,42-,43+,44+,45-,46-;;;;4-,6-,7+,10-;4-,5-,8+,9-/m0...10/s1
InChIKeyRTGXFSKOUGCMHG-JQFGDXMUSA-N
XLogP19.99
TPSA637.01 Ų
H-Bond Donors17
H-Bond Acceptors39
Rotatable Bonds28
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002704.05
LogP ≤ 519.99
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate?
The IUPAC name of (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate (CID 160722477) is (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate.
What is the SMILES notation for (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate?
The canonical SMILES for (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate is CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(C)=O)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.CCc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)ccc1Cl.CCc1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](O)[C@@H]1O.CO[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate?
The InChIKey is RTGXFSKOUGCMHG-JQFGDXMUSA-N. The full InChI is InChI=1S/C46H58N4O8.C22H18ClF3N2O2.C22H21ClN4O3.C21H16ClF3N4O3.C11H14FN5O4.C10H12FN5O4/c1-8-42(54)23-29-24-45(27(3)51,37-31(15-19-49(25-29)26-42)30-13-10-11-14-34(30)47-37)33-21-32-35(22-36(33)56-6)48(5)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-28(4)52)46(39,55)41(53)57-7;1-2-14-4-3-5-18(12-14)30-17-9-6-15(7-10-17)27-21(29)28-16-8-11-20(23)19(13-16)22(24,25)26;1-3-14-12-16(6-9-19(14)23)27-22(29)26-15-4-7-17(8-5-15)30-18-10-11-25-20(13-18)21(28)24-2;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-20-2-4-6(18)7(19)10(21-4)17-3-14-5-8(13)15-11(12)16-9(5)17;1-19-9-5(18)4(17)8(20-9)16-2-13-3-6(12)14-10(11)15-7(3)16/h10-14,16,21-22,29,38-40,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;3-13H,2H2,1H3,(H2,27,28,29);4-13H,3H2,1-2H3,(H,24,28)(H2,26,27,29);2-11H,1H3,(H,26,30)(H2,28,29,31);3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16);2,4-5,8-9,17-18H,1H3,(H2,12,14,15)/t29-,38-,39+,40+,42-,43+,44+,45-,46-;;;;4-,6-,7+,10-;4-,5-,8+,9-/m0...10/s1.
What are the key properties of (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate?
(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate has a molecular weight of 2704.05 g/mol, XLogP of 19.99, 28 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol;(2R,3S,4S,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-methoxyoxolane-3,4-diol;4-[4-[(4-chloro-3-ethylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;methyl (1R,9R,10S,11R,12R,19R)-4-[(13S,15R,17S)-13-acetyl-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate is sourced from PubChem (CID 160722477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).