6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid

C105H154N26O27 — CID 161427526

IUPAC6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid
SMILESCC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)C(C)(C)C.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CCC(=O)O.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CN.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)c1ccccc1.CC[C@H](C)C(N)C(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.COCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C20H24N4O4.C19H31N5O4.C18H28N4O4.C17H24N4O6.C16H24N4O5.C15H23N5O4/c1-14(28-19(26)15-10-5-4-6-11-15)9-7-8-12-24-18(25)16-17(21-13-22(16)2)23(3)20(24)27;1-6-12(2)14(20)18(26)28-13(3)9-7-8-10-24-17(25)15-16(21-11-22(15)4)23(5)19(24)27;1-12(26-16(24)18(2,3)4)9-7-8-10-22-15(23)13-14(19-11-20(13)5)21(6)17(22)25;1-11(27-13(24)8-7-12(22)23)6-4-5-9-21-16(25)14-15(18-10-19(14)2)20(3)17(21)26;1-11(25-12(21)9-24-4)7-5-6-8-20-15(22)13-14(17-10-18(13)2)19(3)16(20)23;1-10(24-11(21)8-16)6-4-5-7-20-14(22)12-13(17-9-18(12)2)19(3)15(20)23/h4-6,10-11,13-14H,7-9,12H2,1-3H3;11-14H,6-10,20H2,1-5H3;11-12H,7-10H2,1-6H3;10-11H,4-9H2,1-3H3,(H,22,23);10-11H,5-9H2,1-4H3;9-10H,4-8,16H2,1-3H3/t;12-,13?,14?;;;;/m.0..../s1
InChIKeyVXOJEPBRLUGYDH-ZDMYQAERSA-N
MW2212.54 g/mol
LogP4.42
Rot. Bonds46

About 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid

6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid (PubChem CID 161427526) has the molecular formula C105H154N26O27 and a molecular weight of 2212.54 g/mol. Its IUPAC name is 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid
PubChem CID161427526
Molecular FormulaC105H154N26O27
Molecular Weight2212.54 g/mol
Exact Mass2211.15
IUPAC Name6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid
SMILESCC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)C(C)(C)C.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CCC(=O)O.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CN.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)c1ccccc1.CC[C@H](C)C(N)C(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.COCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C20H24N4O4.C19H31N5O4.C18H28N4O4.C17H24N4O6.C16H24N4O5.C15H23N5O4/c1-14(28-19(26)15-10-5-4-6-11-15)9-7-8-12-24-18(25)16-17(21-13-22(16)2)23(3)20(24)27;1-6-12(2)14(20)18(26)28-13(3)9-7-8-10-24-17(25)15-16(21-11-22(15)4)23(5)19(24)27;1-12(26-16(24)18(2,3)4)9-7-8-10-22-15(23)13-14(19-11-20(13)5)21(6)17(22)25;1-11(27-13(24)8-7-12(22)23)6-4-5-9-21-16(25)14-15(18-10-19(14)2)20(3)17(21)26;1-11(25-12(21)9-24-4)7-5-6-8-20-15(22)13-14(17-10-18(13)2)19(3)16(20)23;1-10(24-11(21)8-16)6-4-5-7-20-14(22)12-13(17-9-18(12)2)19(3)15(20)23/h4-6,10-11,13-14H,7-9,12H2,1-3H3;11-14H,6-10,20H2,1-5H3;11-12H,7-10H2,1-6H3;10-11H,4-9H2,1-3H3,(H,22,23);10-11H,5-9H2,1-4H3;9-10H,4-8,16H2,1-3H3/t;12-,13?,14?;;;;/m.0..../s1
InChIKeyVXOJEPBRLUGYDH-ZDMYQAERSA-N
XLogP4.42
TPSA627.29 Ų
H-Bond Donors3
H-Bond Acceptors52
Rotatable Bonds46
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002212.54
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butan-2-yloxy-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;tert-butyl 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-2-cyclohexyloxy-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-piperidin-1-ylpurin-6-one;methyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)oxy-2-phenylacetate;tetrakis(2,2,2-trifluoroacetic acid)
CID 159697524
2-butan-2-yloxy-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;tert-butyl 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-2-cyclohexyloxy-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-piperazin-1-ylpurin-6-one;methyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxy-2-phenylacetate;tetrakis(2,2,2-trifluoroacetic acid)
CID 161252227
2-butan-2-yloxy-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;tert-butyl 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-2-cyclohexyloxy-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-piperazin-1-ylpurin-6-one;methyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxy-2-phenylacetate;tetrakis(2,2,2-trifluoroacetaldehyde)
CID 162034635
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione
CID 157151483
6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;1-(5-methoxyhexyl)-3,7-dimethylpurine-2,6-dione
CID 158018812
2-(6-aminopurin-9-yl)oxane-3,4,5-triol;[6-(6-benzamidopurin-9-yl)-4,5-dibenzoyloxyoxan-3-yl] benzoate;[2-(6-benzamidopurin-9-yl)-3-hydroxy-5-methyloxan-4-yl] benzoate;N-benzoyl-N-[9-(3,4,5-trihydroxyoxan-2-yl)purin-6-yl]benzamide;[2-[6-(dibenzoylamino)purin-9-yl]-4,5-dihydroxyoxan-3-yl] benzoate
CID 158429942
2-(6-aminopurin-9-yl)oxane-3,4,5-triol;[6-(6-benzamidopurin-9-yl)-4,5-dibenzoyloxyoxan-3-yl] benzoate;[2-(6-benzamidopurin-9-yl)-3-hydroxy-5-methyloxan-4-yl] benzoate;N-benzoyl-N-[9-(3,4,5-trihydroxyoxan-2-yl)purin-6-yl]benzamide;[2-[6-(dibenzoylamino)purin-9-yl]-4,5-dihydroxyoxan-3-yl] benzoate;methane
CID 158460973
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;[(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxymethyl 2,2-dimethylpropanoate;1-(5-methoxyhexyl)-3,7-dimethylpurine-2,6-dione
CID 158549473
2-(6-aminopurin-9-yl)oxane-3,4,5-triol;[2-(6-benzamidopurin-9-yl)-5-[deuterio(tritio)methoxy]-3-hydroxyoxan-4-yl] benzoate;[6-(6-benzamidopurin-9-yl)-4,5-dibenzoyloxyoxan-3-yl] benzoate;N-benzoyl-N-[9-(3,4,5-trihydroxyoxan-2-yl)purin-6-yl]benzamide;[2-[6-(dibenzoylamino)purin-9-yl]-4,5-dihydroxyoxan-3-yl] benzoate
CID 158697830
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (2S)-2-amino-3-methylbutanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (2S,3S)-2-amino-3-methylpentanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione
CID 161084247
[(2R,3S,5R)-4-acetyloxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl] acetate;[(2R,3S,5R)-3,4-diacetyloxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate;[(2R,3S,5R)-3,4-diacetyloxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl benzoate;[(2R,3S,5R)-3,4-diacetyloxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hexanoate
CID 161203066
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-ethyl-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2R,3S)-2-[6-(dibenzoylamino)purin-9-yl]-5,5-diethyl-4-methyloxolan-3-yl] benzoate;N-[9-[(2R,3S)-5,5-diethyl-3,4-dihydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,3S,5R)-5-ethyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;N-[9-[(1R)-1-(3-formylpentan-3-yloxy)-2-oxoethyl]purin-6-yl]benzamide
CID 161343984

Frequently Asked Questions

What is the IUPAC name of 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid?
The IUPAC name of 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid (CID 161427526) is 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid.
What is the SMILES notation for 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid?
The canonical SMILES for 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid is CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)C(C)(C)C.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CCC(=O)O.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CN.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)c1ccccc1.CC[C@H](C)C(N)C(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.COCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.
What is the InChIKey of 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid?
The InChIKey is VXOJEPBRLUGYDH-ZDMYQAERSA-N. The full InChI is InChI=1S/C20H24N4O4.C19H31N5O4.C18H28N4O4.C17H24N4O6.C16H24N4O5.C15H23N5O4/c1-14(28-19(26)15-10-5-4-6-11-15)9-7-8-12-24-18(25)16-17(21-13-22(16)2)23(3)20(24)27;1-6-12(2)14(20)18(26)28-13(3)9-7-8-10-24-17(25)15-16(21-11-22(15)4)23(5)19(24)27;1-12(26-16(24)18(2,3)4)9-7-8-10-22-15(23)13-14(19-11-20(13)5)21(6)17(22)25;1-11(27-13(24)8-7-12(22)23)6-4-5-9-21-16(25)14-15(18-10-19(14)2)20(3)17(21)26;1-11(25-12(21)9-24-4)7-5-6-8-20-15(22)13-14(17-10-18(13)2)19(3)16(20)23;1-10(24-11(21)8-16)6-4-5-7-20-14(22)12-13(17-9-18(12)2)19(3)15(20)23/h4-6,10-11,13-14H,7-9,12H2,1-3H3;11-14H,6-10,20H2,1-5H3;11-12H,7-10H2,1-6H3;10-11H,4-9H2,1-3H3,(H,22,23);10-11H,5-9H2,1-4H3;9-10H,4-8,16H2,1-3H3/t;12-,13?,14?;;;;/m.0..../s1.
What are the key properties of 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid?
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid has a molecular weight of 2212.54 g/mol, XLogP of 4.42, 46 rotatable bonds, 3 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid is sourced from PubChem (CID 161427526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).