[2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate

C15H21N5O7 — CID 15237350

IUPAC[2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(COC(=O)COC)OCn1cnc2nc(N)ncc21
InChIInChI=1S/C15H21N5O7/c1-23-6-12(21)25-4-10(5-26-13(22)7-24-2)27-9-20-8-18-14-11(20)3-17-15(16)19-14/h3,8,10H,4-7,9H2,1-2H3,(H2,16,17,19)
InChIKeyVSUFLLPKSGVVJT-UHFFFAOYSA-N
MW383.36 g/mol
LogP-0.87
Rot. Bonds11

About [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate

[2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate (PubChem CID 15237350) has the molecular formula C15H21N5O7 and a molecular weight of 383.36 g/mol. Its IUPAC name is [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate
PubChem CID15237350
Molecular FormulaC15H21N5O7
Molecular Weight383.36 g/mol
Exact Mass383.14
IUPAC Name[2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(COC(=O)COC)OCn1cnc2nc(N)ncc21
InChIInChI=1S/C15H21N5O7/c1-23-6-12(21)25-4-10(5-26-13(22)7-24-2)27-9-20-8-18-14-11(20)3-17-15(16)19-14/h3,8,10H,4-7,9H2,1-2H3,(H2,16,17,19)
InChIKeyVSUFLLPKSGVVJT-UHFFFAOYSA-N
XLogP-0.87
TPSA149.91 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate?
The IUPAC name of [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate (CID 15237350) is [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate.
What is the SMILES notation for [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate?
The canonical SMILES for [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate is COCC(=O)OCC(COC(=O)COC)OCn1cnc2nc(N)ncc21.
What is the InChIKey of [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate?
The InChIKey is VSUFLLPKSGVVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O7/c1-23-6-12(21)25-4-10(5-26-13(22)7-24-2)27-9-20-8-18-14-11(20)3-17-15(16)19-14/h3,8,10H,4-7,9H2,1-2H3,(H2,16,17,19).
What are the key properties of [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate?
[2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate has a molecular weight of 383.36 g/mol, XLogP of -0.87, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-aminopurin-7-yl)methoxy]-3-(2-methoxyacetyl)oxypropyl] 2-methoxyacetate is sourced from PubChem (CID 15237350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).