[2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid

C14H22N5O7P — CID 24899195

IUPAC[2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid
SMILESCOCCOc1nc(N)c2[nH]c(=O)n(C3CCCC3OCP(=O)(O)O)c2n1
InChIInChI=1S/C14H22N5O7P/c1-24-5-6-25-13-17-11(15)10-12(18-13)19(14(20)16-10)8-3-2-4-9(8)26-7-27(21,22)23/h8-9H,2-7H2,1H3,(H,16,20)(H2,15,17,18)(H2,21,22,23)
InChIKeyHQQGGBCJOVCIJF-UHFFFAOYSA-N
MW403.33 g/mol
LogP-0.03
Rot. Bonds8

About [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid

[2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid (PubChem CID 24899195) has the molecular formula C14H22N5O7P and a molecular weight of 403.33 g/mol. Its IUPAC name is [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid
PubChem CID24899195
Molecular FormulaC14H22N5O7P
Molecular Weight403.33 g/mol
Exact Mass403.13
IUPAC Name[2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid
SMILESCOCCOc1nc(N)c2[nH]c(=O)n(C3CCCC3OCP(=O)(O)O)c2n1
InChIInChI=1S/C14H22N5O7P/c1-24-5-6-25-13-17-11(15)10-12(18-13)19(14(20)16-10)8-3-2-4-9(8)26-7-27(21,22)23/h8-9H,2-7H2,1H3,(H,16,20)(H2,15,17,18)(H2,21,22,23)
InChIKeyHQQGGBCJOVCIJF-UHFFFAOYSA-N
XLogP-0.03
TPSA174.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(2-methoxyethoxy)-9-(2-piperidin-4-ylethyl)-7H-purin-8-one
CID 143428583
[1-[2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]ethoxy]-2-phenoxyethyl]phosphonic acid
CID 68844152
[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl-methylphosphinic acid
CID 24898727
methyl 2-[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate
CID 23158703
6-amino-9-[[4-[(1-aminoethenylamino)methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one
CID 118428813
6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane
CID 143605693
methyl (3E,5E)-5-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]-3-methylhepta-3,5-dienoate
CID 142878316
[2-(2-amino-6-chloro-8-oxo-7H-purin-9-yl)cyclohexyl] methyl carbonate
CID 87719219
acetonitrile;6-amino-9-[[3-(dimethoxyphosphorylmethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methylphosphonic acid;bromo(trimethyl)silane;methane
CID 158969261
N-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl]acetamide;ethane
CID 145310401
(2,5-dihydroxypyrrol-1-yl) 4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzoate
CID 91573040
2-[3-[2-amino-1-[4-[1-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]ethyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetic acid
CID 69106086

Frequently Asked Questions

What is the IUPAC name of [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid?
The IUPAC name of [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid (CID 24899195) is [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid.
What is the SMILES notation for [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid?
The canonical SMILES for [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid is COCCOc1nc(N)c2[nH]c(=O)n(C3CCCC3OCP(=O)(O)O)c2n1.
What is the InChIKey of [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid?
The InChIKey is HQQGGBCJOVCIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N5O7P/c1-24-5-6-25-13-17-11(15)10-12(18-13)19(14(20)16-10)8-3-2-4-9(8)26-7-27(21,22)23/h8-9H,2-7H2,1H3,(H,16,20)(H2,15,17,18)(H2,21,22,23).
What are the key properties of [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid?
[2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid has a molecular weight of 403.33 g/mol, XLogP of -0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]cyclopentyl]oxymethylphosphonic acid is sourced from PubChem (CID 24899195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).