(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate

C92H130N22O24 — CID 158083168

IUPAC(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate
SMILESC#CCn1c(=O)c2c(ncn2C)n(C)c1=O.COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O.OCCC(CCO)c1nc(N2CCCCC2)c2nc(C(CCO)CCO)nc(N3CCCCC3)c2n1.OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)C(O)C1O
InChIInChI=1S/C31H44N2O10.C26H42N6O4.C15H21N5O4.C10H13N5O4.C10H10N4O2/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4;33-15-7-19(8-16-34)23-28-22-21(25(29-23)31-11-3-1-4-12-31)27-24(20(9-17-35)10-18-36)30-26(22)32-13-5-2-6-14-32;21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8;11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h18-21H,7-17H2,1-6H3;19-20,33-36H,1-18H2;6-9,11-12,15,21-23H,1-5H2,(H,16,17,19);2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1,6H,5H2,2-3H3/t;;9-,11?,12?,15-;4-,6?,7?,10-;/m..11./s1
InChIKeyFNEVEDDEXUDTLF-KVCDZTBOSA-N
MW1928.18 g/mol
LogP2.52
Rot. Bonds35

About (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate

(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate (PubChem CID 158083168) has the molecular formula C92H130N22O24 and a molecular weight of 1928.18 g/mol. Its IUPAC name is (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate
PubChem CID158083168
Molecular FormulaC92H130N22O24
Molecular Weight1928.18 g/mol
Exact Mass1926.96
IUPAC Name(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate
SMILESC#CCn1c(=O)c2c(ncn2C)n(C)c1=O.COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O.OCCC(CCO)c1nc(N2CCCCC2)c2nc(C(CCO)CCO)nc(N3CCCCC3)c2n1.OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)C(O)C1O
InChIInChI=1S/C31H44N2O10.C26H42N6O4.C15H21N5O4.C10H13N5O4.C10H10N4O2/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4;33-15-7-19(8-16-34)23-28-22-21(25(29-23)31-11-3-1-4-12-31)27-24(20(9-17-35)10-18-36)30-26(22)32-13-5-2-6-14-32;21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8;11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h18-21H,7-17H2,1-6H3;19-20,33-36H,1-18H2;6-9,11-12,15,21-23H,1-5H2,(H,16,17,19);2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1,6H,5H2,2-3H3/t;;9-,11?,12?,15-;4-,6?,7?,10-;/m..11./s1
InChIKeyFNEVEDDEXUDTLF-KVCDZTBOSA-N
XLogP2.52
TPSA580.33 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds35
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001928.18
LogP ≤ 52.52
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate with MolForge

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Related Compounds

[1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide
CID 54107219
[(2R,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-oxo-4-[[phenyl-(2,3,4-trioctadecoxyphenyl)methyl]amino]butanoate
CID 140922589
[(2R,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(3-isocyanopropyl)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-oxo-4-[[phenyl-(2,3,4-trioctadecoxyphenyl)methyl]amino]butanoate
CID 140922591
4-O-[2-[[(2R,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-methoxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxyethyl] 1-O-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethyl] butanedioate
CID 156662966
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl butanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (E)-3-phenylprop-2-enoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 3,4,5-trimethoxybenzoate
CID 157126860
2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol;1,3-dimethyl-7H-purine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3-(hydroxymethyl)-4,5-dimethoxybenzoate
CID 157620504
(2R,5R)-5-(2,6-diaminopurin-9-yl)-2-ethyloxolan-3-ol;2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethyl 4-[[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]amino]-4-oxobutanoate;4-[2-[methyl-[(3,4,5-trioctadecoxyphenyl)methyl]amino]ethoxy]-4-oxobutanoic acid
CID 157788759
CID 157916177
CID 157916177
[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-(methylamino)acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-2-ethyl-5-[6-[[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]acetyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate
CID 158281202
[(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;[(2R,5R)-2-(hydroxymethyl)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;hydroxy-[[(2R,5R)-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy]-oxophosphanium
CID 159032441
[(2R,5R)-2-ethyl-5-[6-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]purin-9-yl]oxolan-3-yl] 4-oxopentanoate;2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethyl 4-[[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]amino]-4-oxobutanoate
CID 160157141
(2R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-ol;2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethyl 4-[[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]amino]-4-oxobutanoate;4-[2-[methyl-[(3,4,5-trioctadecoxyphenyl)methyl]amino]ethoxy]-4-oxobutanoic acid
CID 160573812

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate?
The IUPAC name of (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate (CID 158083168) is (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate.
What is the SMILES notation for (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate?
The canonical SMILES for (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate is C#CCn1c(=O)c2c(ncn2C)n(C)c1=O.COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O.OCCC(CCO)c1nc(N2CCCCC2)c2nc(C(CCO)CCO)nc(N3CCCCC3)c2n1.OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)C(O)C1O.
What is the InChIKey of (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate?
The InChIKey is FNEVEDDEXUDTLF-KVCDZTBOSA-N. The full InChI is InChI=1S/C31H44N2O10.C26H42N6O4.C15H21N5O4.C10H13N5O4.C10H10N4O2/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4;33-15-7-19(8-16-34)23-28-22-21(25(29-23)31-11-3-1-4-12-31)27-24(20(9-17-35)10-18-36)30-26(22)32-13-5-2-6-14-32;21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8;11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h18-21H,7-17H2,1-6H3;19-20,33-36H,1-18H2;6-9,11-12,15,21-23H,1-5H2,(H,16,17,19);2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1,6H,5H2,2-3H3/t;;9-,11?,12?,15-;4-,6?,7?,10-;/m..11./s1.
What are the key properties of (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate?
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate has a molecular weight of 1928.18 g/mol, XLogP of 2.52, 35 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;3-[2-(1,5-dihydroxypentan-3-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 158083168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).