N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane

C153H169ClF10N38O26P2S — CID 158169883

IUPACN-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane
SMILESC.C.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(F)(F)COC)[C@@H]1N.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(F)(F)COC)[C@@H]1N=[N+]=[N-].CC[C@H]1O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ncnc32)[C@H](OC(F)(F)CO)[C@@H]1N=[N+]=[N-].CC[C@H]1O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ncnc32)[C@H](OC(F)(F)COC)[C@@H]1N=[N+]=[N-].COCC(F)(F)O[C@@H]1[C@H](N=[N+]=[N-])[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.COc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)O)cc1.[3H]PP
InChIInChI=1S/C35H36F2N8O5.C34H34F2N8O5.C21H22F2N8O4.C21H24F2N6O4.C20H17ClO.C13H16F2N8O4.C7H8O3S.2CH4.H4P2/c1-5-27-28(43-44-38)30(50-34(36,37)19-46-2)33(49-27)45-21-41-29-31(39-20-40-32(29)45)42-35(22-9-7-6-8-10-22,23-11-15-25(47-3)16-12-23)24-13-17-26(48-4)18-14-24;1-4-26-27(42-43-37)29(49-33(35,36)18-45)32(48-26)44-20-40-28-30(38-19-39-31(28)44)41-34(21-8-6-5-7-9-21,22-10-14-24(46-2)15-11-22)23-12-16-25(47-3)17-13-23;1-3-13-14(29-30-24)16(35-21(22,23)9-33-2)20(34-13)31-11-27-15-17(25-10-26-18(15)31)28-19(32)12-7-5-4-6-8-12;1-3-13-14(24)16(33-21(22,23)9-31-2)20(32-13)29-11-27-15-17(25-10-26-18(15)29)28-19(30)12-7-5-4-6-8-12;1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-25-3-13(14,15)27-9-7(21-22-17)6(2-24)26-12(9)23-5-20-8-10(16)18-4-19-11(8)23;1-6-2-4-7(5-3-6)11(8,9)10;;;1-2/h6-18,20-21,27-28,30,33H,5,19H2,1-4H3,(H,39,40,42);5-17,19-20,26-27,29,32,45H,4,18H2,1-3H3,(H,38,39,41);4-8,10-11,13-14,16,20H,3,9H2,1-2H3,(H,25,26,28,32);4-8,10-11,13-14,16,20H,3,9,24H2,1-2H3,(H,25,26,28,30);2-15H,1H3;4-7,9,12,24H,2-3H2,1H3,(H2,16,18,19);2-5H,1H3,(H,8,9,10);2*1H4;1-2H2/t27-,28-,30-,33-;26-,27-,29-,32-;2*13-,14-,16-,20-;;6-,7-,9-,12-;;;;/m1111.1..../s1/i;;;;;;;;;1T
InChIKeyTZJZZDMARDILLA-CSBNWRPHSA-N
MW3277.73 g/mol
LogP28.08
Rot. Bonds56

About N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane

N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane (PubChem CID 158169883) has the molecular formula C153H169ClF10N38O26P2S and a molecular weight of 3277.73 g/mol. Its IUPAC name is N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane.

Molecular Properties

Compound NameN-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane
PubChem CID158169883
Molecular FormulaC153H169ClF10N38O26P2S
Molecular Weight3277.73 g/mol
Exact Mass3275.19
IUPAC NameN-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane
SMILESC.C.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(F)(F)COC)[C@@H]1N.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(F)(F)COC)[C@@H]1N=[N+]=[N-].CC[C@H]1O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ncnc32)[C@H](OC(F)(F)CO)[C@@H]1N=[N+]=[N-].CC[C@H]1O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ncnc32)[C@H](OC(F)(F)COC)[C@@H]1N=[N+]=[N-].COCC(F)(F)O[C@@H]1[C@H](N=[N+]=[N-])[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.COc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)O)cc1.[3H]PP
InChIInChI=1S/C35H36F2N8O5.C34H34F2N8O5.C21H22F2N8O4.C21H24F2N6O4.C20H17ClO.C13H16F2N8O4.C7H8O3S.2CH4.H4P2/c1-5-27-28(43-44-38)30(50-34(36,37)19-46-2)33(49-27)45-21-41-29-31(39-20-40-32(29)45)42-35(22-9-7-6-8-10-22,23-11-15-25(47-3)16-12-23)24-13-17-26(48-4)18-14-24;1-4-26-27(42-43-37)29(49-33(35,36)18-45)32(48-26)44-20-40-28-30(38-19-39-31(28)44)41-34(21-8-6-5-7-9-21,22-10-14-24(46-2)15-11-22)23-12-16-25(47-3)17-13-23;1-3-13-14(29-30-24)16(35-21(22,23)9-33-2)20(34-13)31-11-27-15-17(25-10-26-18(15)31)28-19(32)12-7-5-4-6-8-12;1-3-13-14(24)16(33-21(22,23)9-31-2)20(32-13)29-11-27-15-17(25-10-26-18(15)29)28-19(30)12-7-5-4-6-8-12;1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-25-3-13(14,15)27-9-7(21-22-17)6(2-24)26-12(9)23-5-20-8-10(16)18-4-19-11(8)23;1-6-2-4-7(5-3-6)11(8,9)10;;;1-2/h6-18,20-21,27-28,30,33H,5,19H2,1-4H3,(H,39,40,42);5-17,19-20,26-27,29,32,45H,4,18H2,1-3H3,(H,38,39,41);4-8,10-11,13-14,16,20H,3,9H2,1-2H3,(H,25,26,28,32);4-8,10-11,13-14,16,20H,3,9,24H2,1-2H3,(H,25,26,28,30);2-15H,1H3;4-7,9,12,24H,2-3H2,1H3,(H2,16,18,19);2-5H,1H3,(H,8,9,10);2*1H4;1-2H2/t27-,28-,30-,33-;26-,27-,29-,32-;2*13-,14-,16-,20-;;6-,7-,9-,12-;;;;/m1111.1..../s1/i;;;;;;;;;1T
InChIKeyTZJZZDMARDILLA-CSBNWRPHSA-N
XLogP28.08
TPSA817.54 Ų
H-Bond Donors9
H-Bond Acceptors53
Rotatable Bonds56
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003277.73
LogP ≤ 528.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1053

Analyze N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane?
The IUPAC name of N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane (CID 158169883) is N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane.
What is the SMILES notation for N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane?
The canonical SMILES for N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane is C.C.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(F)(F)COC)[C@@H]1N.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(F)(F)COC)[C@@H]1N=[N+]=[N-].CC[C@H]1O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ncnc32)[C@H](OC(F)(F)CO)[C@@H]1N=[N+]=[N-].CC[C@H]1O[C@@H](n2cnc3c(NC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)ncnc32)[C@H](OC(F)(F)COC)[C@@H]1N=[N+]=[N-].COCC(F)(F)O[C@@H]1[C@H](N=[N+]=[N-])[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.COc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)O)cc1.[3H]PP.
What is the InChIKey of N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane?
The InChIKey is TZJZZDMARDILLA-CSBNWRPHSA-N. The full InChI is InChI=1S/C35H36F2N8O5.C34H34F2N8O5.C21H22F2N8O4.C21H24F2N6O4.C20H17ClO.C13H16F2N8O4.C7H8O3S.2CH4.H4P2/c1-5-27-28(43-44-38)30(50-34(36,37)19-46-2)33(49-27)45-21-41-29-31(39-20-40-32(29)45)42-35(22-9-7-6-8-10-22,23-11-15-25(47-3)16-12-23)24-13-17-26(48-4)18-14-24;1-4-26-27(42-43-37)29(49-33(35,36)18-45)32(48-26)44-20-40-28-30(38-19-39-31(28)44)41-34(21-8-6-5-7-9-21,22-10-14-24(46-2)15-11-22)23-12-16-25(47-3)17-13-23;1-3-13-14(29-30-24)16(35-21(22,23)9-33-2)20(34-13)31-11-27-15-17(25-10-26-18(15)31)28-19(32)12-7-5-4-6-8-12;1-3-13-14(24)16(33-21(22,23)9-31-2)20(32-13)29-11-27-15-17(25-10-26-18(15)29)28-19(30)12-7-5-4-6-8-12;1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-25-3-13(14,15)27-9-7(21-22-17)6(2-24)26-12(9)23-5-20-8-10(16)18-4-19-11(8)23;1-6-2-4-7(5-3-6)11(8,9)10;;;1-2/h6-18,20-21,27-28,30,33H,5,19H2,1-4H3,(H,39,40,42);5-17,19-20,26-27,29,32,45H,4,18H2,1-3H3,(H,38,39,41);4-8,10-11,13-14,16,20H,3,9H2,1-2H3,(H,25,26,28,32);4-8,10-11,13-14,16,20H,3,9,24H2,1-2H3,(H,25,26,28,30);2-15H,1H3;4-7,9,12,24H,2-3H2,1H3,(H2,16,18,19);2-5H,1H3,(H,8,9,10);2*1H4;1-2H2/t27-,28-,30-,33-;26-,27-,29-,32-;2*13-,14-,16-,20-;;6-,7-,9-,12-;;;;/m1111.1..../s1/i;;;;;;;;;1T.
What are the key properties of N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane?
N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane has a molecular weight of 3277.73 g/mol, XLogP of 28.08, 56 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(2R,3R,4R,5R)-4-amino-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol;2-[(2R,3R,4R,5R)-4-azido-2-[6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]purin-9-yl]-5-ethyloxolan-3-yl]oxy-2,2-difluoroethanol;9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]-N-[bis(4-methoxyphenyl)-phenylmethyl]purin-6-amine;N-[9-[(2R,3R,4R,5R)-4-azido-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyloxolan-2-yl]purin-6-yl]benzamide;1-[chloro(diphenyl)methyl]-4-methoxybenzene;methane;4-methylbenzenesulfonic acid;phosphanyl(tritio)phosphane is sourced from PubChem (CID 158169883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).