ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate

C13H20N3O6P — CID 133065020

IUPACethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate
SMILESCCOC(=O)c1coc(CN=[N+]=[N-])c1CP(=O)(OCC)OCC
InChIInChI=1S/C13H20N3O6P/c1-4-19-13(17)10-8-20-12(7-15-16-14)11(10)9-23(18,21-5-2)22-6-3/h8H,4-7,9H2,1-3H3
InChIKeyWWXPUPCBNRVHHP-UHFFFAOYSA-N
MW345.29 g/mol
LogP4.03
Rot. Bonds10

About ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate

ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate (PubChem CID 133065020) has the molecular formula C13H20N3O6P and a molecular weight of 345.29 g/mol. Its IUPAC name is ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate
PubChem CID133065020
Molecular FormulaC13H20N3O6P
Molecular Weight345.29 g/mol
Exact Mass345.11
IUPAC Nameethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate
SMILESCCOC(=O)c1coc(CN=[N+]=[N-])c1CP(=O)(OCC)OCC
InChIInChI=1S/C13H20N3O6P/c1-4-19-13(17)10-8-20-12(7-15-16-14)11(10)9-23(18,21-5-2)22-6-3/h8H,4-7,9H2,1-3H3
InChIKeyWWXPUPCBNRVHHP-UHFFFAOYSA-N
XLogP4.03
TPSA123.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate 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

ethyl 4-(diethoxyphosphorylmethyl)-5-methylfuran-3-carboxylate
CID 132993069
ethyl 4-(chloromethyl)-5-(diethoxyphosphorylmethyl)furan-3-carboxylate
CID 132992974
ethyl 3-(azidomethyl)-5-(diethoxyphosphorylmethyl)furan-2-carboxylate
CID 133064567
ethyl 6-(azidomethyl)pyridine-3-carboxylate
CID 118667100
ethyl 2-(diethoxyphosphorylmethyl)-4-sulfanylbenzoate
CID 54172834
diethyl 5-azidobenzene-1,3-dicarboxylate
CID 21327938
2-diethoxyphosphorylacetyl azide
CID 59835448
ethyl 5-aminofuran-3-carboxylate
CID 22218303
ethyl 4-(chloromethyl)-5-(diethoxyphosphorylmethyl)furan-2-carboxylate
CID 133064995
ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate
CID 71415665
ethyl 4-(diethoxyphosphorylmethylamino)benzoate
CID 3087381
1-azido-3-diethoxyphosphorylpropane
CID 10867835

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate?
The IUPAC name of ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate (CID 133065020) is ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate?
The canonical SMILES for ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate is CCOC(=O)c1coc(CN=[N+]=[N-])c1CP(=O)(OCC)OCC.
What is the InChIKey of ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate?
The InChIKey is WWXPUPCBNRVHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N3O6P/c1-4-19-13(17)10-8-20-12(7-15-16-14)11(10)9-23(18,21-5-2)22-6-3/h8H,4-7,9H2,1-3H3.
What are the key properties of ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate?
ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate has a molecular weight of 345.29 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(azidomethyl)-4-(diethoxyphosphorylmethyl)furan-3-carboxylate is sourced from PubChem (CID 133065020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).