2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane

C122H163BrClFN20O25P4 — CID 157145281

IUPAC2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane
SMILESC.CCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(Cl)c1)OCc1ccccc1.CCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(F)c1)OCc1ccccc1.CCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(Br)c1)OCc1ccccc1
InChIInChI=1S/C43H65BrN5O7P.C26H31ClN5O6P.C26H31FN5O6P.C26H32N5O6P.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-52-32-39(54-30-36-22-18-17-19-23-36)33-56-57(51,55-31-37-24-21-25-38(44)29-37)35-53-28-26-49-34-46-40-41(49)47-43(45)48-42(40)50;2*1-2-22(36-14-19-7-4-3-5-8-19)16-38-39(34,37-15-20-9-6-10-21(27)13-20)18-35-12-11-32-17-29-23-24(32)30-26(28)31-25(23)33;1-2-22(35-15-20-9-5-3-6-10-20)17-37-38(33,36-16-21-11-7-4-8-12-21)19-34-14-13-31-18-28-23-24(31)29-26(27)30-25(23)32;/h17-19,21-25,29,34,39H,2-16,20,26-28,30-33,35H2,1H3,(H3,45,47,48,50);2*3-10,13,17,22H,2,11-12,14-16,18H2,1H3,(H3,28,30,31,33);3-12,18,22H,2,13-17,19H2,1H3,(H3,27,29,30,32);1H4
InChIKeyAKQBLZRZLGTBCD-UHFFFAOYSA-N
MW2568.01 g/mol
LogP24.45
Rot. Bonds78

About 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane

2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane (PubChem CID 157145281) has the molecular formula C122H163BrClFN20O25P4 and a molecular weight of 2568.01 g/mol. Its IUPAC name is 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane.

Molecular Properties

Compound Name2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane
PubChem CID157145281
Molecular FormulaC122H163BrClFN20O25P4
Molecular Weight2568.01 g/mol
Exact Mass2564.99
IUPAC Name2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane
SMILESC.CCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(Cl)c1)OCc1ccccc1.CCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(F)c1)OCc1ccccc1.CCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(Br)c1)OCc1ccccc1
InChIInChI=1S/C43H65BrN5O7P.C26H31ClN5O6P.C26H31FN5O6P.C26H32N5O6P.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-52-32-39(54-30-36-22-18-17-19-23-36)33-56-57(51,55-31-37-24-21-25-38(44)29-37)35-53-28-26-49-34-46-40-41(49)47-43(45)48-42(40)50;2*1-2-22(36-14-19-7-4-3-5-8-19)16-38-39(34,37-15-20-9-6-10-21(27)13-20)18-35-12-11-32-17-29-23-24(32)30-26(28)31-25(23)33;1-2-22(35-15-20-9-5-3-6-10-20)17-37-38(33,36-16-21-11-7-4-8-12-21)19-34-14-13-31-18-28-23-24(31)29-26(27)30-25(23)32;/h17-19,21-25,29,34,39H,2-16,20,26-28,30-33,35H2,1H3,(H3,45,47,48,50);2*3-10,13,17,22H,2,11-12,14-16,18H2,1H3,(H3,28,30,31,33);3-12,18,22H,2,13-17,19H2,1H3,(H3,27,29,30,32);1H4
InChIKeyAKQBLZRZLGTBCD-UHFFFAOYSA-N
XLogP24.45
TPSA583.55 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds78
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002568.01
LogP ≤ 524.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane with MolForge

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Related Compounds

2-amino-9-[2-[[(3-bromophenyl)methoxy-[(5-cyclohexyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[(2-oxo-5-phenyl-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 157284732
2-amino-9-[2-[[(3-bromophenyl)methoxy-[(5-cyclohexyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[(2-oxo-5-phenyl-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane
CID 157885285
2-amino-9-[2-[[(3-bromophenyl)methoxy-[(5-cyclohexyl-2-oxo-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[(2-oxo-5-phenyl-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 158863506
2-amino-9-[2-[[(3-chlorophenyl)methoxy-[(5-cyclohexyl-2-methylidene-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-[(5-cyclopentyl-2-methylidene-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-[(2-methylidene-5-phenyl-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 162033444
2-amino-9-[2-[[(3-bromophenyl)methoxy-[(5-cyclohexyl-2-methylidene-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[[2-methylidene-5-(4-methylphenyl)-1,3-dioxol-4-yl]methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-bromophenyl)methoxy-[(2-methylidene-5-phenyl-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 162217656
2-amino-9-[2-[[(3-chlorophenyl)methoxy-[(5-cyclohexyl-2-methylidene-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-[[5-(3,3-difluorocyclopentyl)-2-methylidene-1,3-dioxol-4-yl]methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-[[2-methylidene-5-(4-methylphenyl)-1,3-dioxol-4-yl]methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-[(2-methylidene-5-phenyl-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 163967252
CID 164037799
CID 164037799
2-amino-9-[2-[[(3-bromophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 157196104
2-amino-9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-octadecoxyethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 157224739
2-amino-9-[2-[[(3-bromophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 157242983
2-amino-9-[2-[[4-(4-bromophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[4-(4-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[4-(4-fluorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[(2-oxo-4-phenyl-1,3,2lambda5-dioxaphosphinan-2-yl)methoxy]ethyl]-1H-purin-6-one
CID 157319284
2-amino-9-[2-[[[5-(4-chlorophenyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(3-fluoro-4-methylphenyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-[(2-methylidene-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[5-(4-fluorophenyl)-2-methylidene-1,3-dioxol-4-yl]methoxy-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 157392552

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane?
The IUPAC name of 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane (CID 157145281) is 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane.
What is the SMILES notation for 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane?
The canonical SMILES for 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane is C.CCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(Cl)c1)OCc1ccccc1.CCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(F)c1)OCc1ccccc1.CCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccccc1)OCc1ccccc1.CCCCCCCCCCCCCCCCCCOCC(COP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(Br)c1)OCc1ccccc1.
What is the InChIKey of 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane?
The InChIKey is AKQBLZRZLGTBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H65BrN5O7P.C26H31ClN5O6P.C26H31FN5O6P.C26H32N5O6P.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-52-32-39(54-30-36-22-18-17-19-23-36)33-56-57(51,55-31-37-24-21-25-38(44)29-37)35-53-28-26-49-34-46-40-41(49)47-43(45)48-42(40)50;2*1-2-22(36-14-19-7-4-3-5-8-19)16-38-39(34,37-15-20-9-6-10-21(27)13-20)18-35-12-11-32-17-29-23-24(32)30-26(28)31-25(23)33;1-2-22(35-15-20-9-5-3-6-10-20)17-37-38(33,36-16-21-11-7-4-8-12-21)19-34-14-13-31-18-28-23-24(31)29-26(27)30-25(23)32;/h17-19,21-25,29,34,39H,2-16,20,26-28,30-33,35H2,1H3,(H3,45,47,48,50);2*3-10,13,17,22H,2,11-12,14-16,18H2,1H3,(H3,28,30,31,33);3-12,18,22H,2,13-17,19H2,1H3,(H3,27,29,30,32);1H4.
What are the key properties of 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane?
2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane has a molecular weight of 2568.01 g/mol, XLogP of 24.45, 78 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[phenylmethoxy(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;methane is sourced from PubChem (CID 157145281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).