2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate

C80H105BrClFN24O23P4S — CID 159661131

IUPAC2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate
SMILESCC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccc(C)c(F)c1.CC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccc(S(C)(=O)=O)cc1.CC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(Br)c1.CCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H28ClN6O6P.C20H26FN6O5P.C20H27N6O7PS.C19H24BrN6O5P/c1-4-33-20(30)14(3)27-35(31,34-10-15-6-5-13(2)16(22)9-15)12-32-8-7-28-11-24-17-18(28)25-21(23)26-19(17)29;1-12-4-5-15(8-16(12)21)9-32-33(30,26-13(2)14(3)28)11-31-7-6-27-10-23-17-18(27)24-20(22)25-19(17)29;1-13(14(2)27)25-34(29,33-10-15-4-6-16(7-5-15)35(3,30)31)12-32-9-8-26-11-22-17-18(26)23-20(21)24-19(17)28;1-12(13(2)27)25-32(29,31-9-14-4-3-5-15(20)8-14)11-30-7-6-26-10-22-16-17(26)23-19(21)24-18(16)28/h5-6,9,11,14H,4,7-8,10,12H2,1-3H3,(H,27,31)(H3,23,25,26,29);4-5,8,10,13H,6-7,9,11H2,1-3H3,(H,26,30)(H3,22,24,25,29);4-7,11,13H,8-10,12H2,1-3H3,(H,25,29)(H3,21,23,24,28);3-5,8,10,12H,6-7,9,11H2,1-2H3,(H,25,29)(H3,21,23,24,28)/t14-,35?;13-,33?;13-,34?;12-,32?/m0000/s1
InChIKeyMSUXOYOPBQSKFB-WEGQYBIRSA-N
MW2061.18 g/mol
LogP8.16
Rot. Bonds46

About 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate

2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate (PubChem CID 159661131) has the molecular formula C80H105BrClFN24O23P4S and a molecular weight of 2061.18 g/mol. Its IUPAC name is 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate.

Molecular Properties

Compound Name2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate
PubChem CID159661131
Molecular FormulaC80H105BrClFN24O23P4S
Molecular Weight2061.18 g/mol
Exact Mass2058.53
IUPAC Name2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate
SMILESCC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccc(C)c(F)c1.CC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccc(S(C)(=O)=O)cc1.CC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(Br)c1.CCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H28ClN6O6P.C20H26FN6O5P.C20H27N6O7PS.C19H24BrN6O5P/c1-4-33-20(30)14(3)27-35(31,34-10-15-6-5-13(2)16(22)9-15)12-32-8-7-28-11-24-17-18(28)25-21(23)26-19(17)29;1-12-4-5-15(8-16(12)21)9-32-33(30,26-13(2)14(3)28)11-31-7-6-27-10-23-17-18(27)24-20(22)25-19(17)29;1-13(14(2)27)25-34(29,33-10-15-4-6-16(7-5-15)35(3,30)31)12-32-9-8-26-11-22-17-18(26)23-20(21)24-19(17)28;1-12(13(2)27)25-32(29,31-9-14-4-3-5-15(20)8-14)11-30-7-6-26-10-22-16-17(26)23-19(21)24-18(16)28/h5-6,9,11,14H,4,7-8,10,12H2,1-3H3,(H,27,31)(H3,23,25,26,29);4-5,8,10,13H,6-7,9,11H2,1-3H3,(H,26,30)(H3,22,24,25,29);4-7,11,13H,8-10,12H2,1-3H3,(H,25,29)(H3,21,23,24,28);3-5,8,10,12H,6-7,9,11H2,1-2H3,(H,25,29)(H3,21,23,24,28)/t14-,35?;13-,33?;13-,34?;12-,32?/m0000/s1
InChIKeyMSUXOYOPBQSKFB-WEGQYBIRSA-N
XLogP8.16
TPSA660.25 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds46
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002061.18
LogP ≤ 58.16
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

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-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate with MolForge

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Related Compounds

2-amino-9-[2-[[(3-bromophenyl)methoxy-(3-oxobutan-2-ylamino)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chloro-4-methylphenyl)methoxy-(3-oxobutan-2-ylamino)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-chlorophenyl)methoxy-(3-oxobutan-2-ylamino)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-(3-oxobutan-2-ylamino)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluorophenyl)methoxy-(3-oxobutan-2-ylamino)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylphenyl)methoxy-(3-oxobutan-2-ylamino)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-(3-oxobutan-2-ylamino)phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-oxobutan-2-ylamino)-phenylmethoxyphosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 163619123
2-amino-9-[2-[[(3-chloro-4-methylphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[methyl-[(4-methylsulfonylphenyl)methoxy]phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 161463295
ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-fluoro-4-methoxyphenyl)methoxy]phosphoryl]amino]propanoate
CID 137014012
2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenylmethoxyphosphinic acid;azane;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate;ethyl (2S)-2-chloropropanoate
CID 161495550
2-amino-9-[2-[[(4-isocyanophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 157173874
2-amino-9-[2-[[(4-isocyanophenyl)methoxy-(3-oxobutan-2-ylamino)phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 157173872
2-amino-9-[2-[[(3-chloro-4-methylphenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;bis(2-amino-9-[2-[[(4-methylphenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one);2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-(2-phenylmethoxybutoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 161267381
ethyl (2R)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 137033651
ethyl 2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(4-methylsulfonylphenyl)methoxy]phosphanyl]amino]propanoate
CID 145046102
2-amino-9-[2-[[(3-fluorophenyl)methoxy-[(2-methyl-3-oxobutan-2-yl)amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one
CID 159692408
2-amino-9-[2-[bis[[(2R)-3-oxobutan-2-yl]amino]phosphorylmethoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-isocyanophenyl)methoxy-[[(2R)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylphenyl)methoxy-[[(2R)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[[[(2R)-3-oxobutan-2-yl]amino]-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;propan-2-yl (2R)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[[(2R)-3-oxobutan-2-yl]amino]phosphoryl]amino]propanoate
CID 160819304
ethyl 2-[[2-(2-amino-6-methoxypurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]amino]propanoate
CID 134182935

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate?
The IUPAC name of 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate (CID 159661131) is 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate.
What is the SMILES notation for 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate?
The canonical SMILES for 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate is CC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccc(C)c(F)c1.CC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccc(S(C)(=O)=O)cc1.CC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1cccc(Br)c1.CCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(=O)[nH]c(N)nc21)OCc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate?
The InChIKey is MSUXOYOPBQSKFB-WEGQYBIRSA-N. The full InChI is InChI=1S/C21H28ClN6O6P.C20H26FN6O5P.C20H27N6O7PS.C19H24BrN6O5P/c1-4-33-20(30)14(3)27-35(31,34-10-15-6-5-13(2)16(22)9-15)12-32-8-7-28-11-24-17-18(28)25-21(23)26-19(17)29;1-12-4-5-15(8-16(12)21)9-32-33(30,26-13(2)14(3)28)11-31-7-6-27-10-23-17-18(27)24-20(22)25-19(17)29;1-13(14(2)27)25-34(29,33-10-15-4-6-16(7-5-15)35(3,30)31)12-32-9-8-26-11-22-17-18(26)23-20(21)24-19(17)28;1-12(13(2)27)25-32(29,31-9-14-4-3-5-15(20)8-14)11-30-7-6-26-10-22-16-17(26)23-19(21)24-18(16)28/h5-6,9,11,14H,4,7-8,10,12H2,1-3H3,(H,27,31)(H3,23,25,26,29);4-5,8,10,13H,6-7,9,11H2,1-3H3,(H,26,30)(H3,22,24,25,29);4-7,11,13H,8-10,12H2,1-3H3,(H,25,29)(H3,21,23,24,28);3-5,8,10,12H,6-7,9,11H2,1-2H3,(H,25,29)(H3,21,23,24,28)/t14-,35?;13-,33?;13-,34?;12-,32?/m0000/s1.
What are the key properties of 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate?
2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate has a molecular weight of 2061.18 g/mol, XLogP of 8.16, 46 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[2-[[(3-bromophenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(3-fluoro-4-methylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;2-amino-9-[2-[[(4-methylsulfonylphenyl)methoxy-[[(2S)-3-oxobutan-2-yl]amino]phosphoryl]methoxy]ethyl]-1H-purin-6-one;ethyl (2S)-2-[[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-[(3-chloro-4-methylphenyl)methoxy]phosphoryl]amino]propanoate is sourced from PubChem (CID 159661131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).