furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate

C13H13N5O4 — CID 5271674

IUPACfuran-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
SMILESNc1ncnc2c1ncn2CC(O)C(=O)OCc1ccco1
InChIInChI=1S/C13H13N5O4/c14-11-10-12(16-6-15-11)18(7-17-10)4-9(19)13(20)22-5-8-2-1-3-21-8/h1-3,6-7,9,19H,4-5H2,(H2,14,15,16)
InChIKeyXUCHBDRFEGIJSA-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.11
Rot. Bonds5

About furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate

furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate (PubChem CID 5271674) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
PubChem CID5271674
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC Namefuran-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
SMILESNc1ncnc2c1ncn2CC(O)C(=O)OCc1ccco1
InChIInChI=1S/C13H13N5O4/c14-11-10-12(16-6-15-11)18(7-17-10)4-9(19)13(20)22-5-8-2-1-3-21-8/h1-3,6-7,9,19H,4-5H2,(H2,14,15,16)
InChIKeyXUCHBDRFEGIJSA-UHFFFAOYSA-N
XLogP0.11
TPSA129.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate?
The IUPAC name of furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate (CID 5271674) is furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate.
What is the SMILES notation for furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate?
The canonical SMILES for furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate is Nc1ncnc2c1ncn2CC(O)C(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate?
The InChIKey is XUCHBDRFEGIJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c14-11-10-12(16-6-15-11)18(7-17-10)4-9(19)13(20)22-5-8-2-1-3-21-8/h1-3,6-7,9,19H,4-5H2,(H2,14,15,16).
What are the key properties of furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate?
furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate has a molecular weight of 303.28 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate is sourced from PubChem (CID 5271674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).