[5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate

C6H10NO5P — CID 25244004

IUPAC[5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate
SMILESNCc1cc(COP(=O)(O)O)co1
InChIInChI=1S/C6H10NO5P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1,3H,2,4,7H2,(H2,8,9,10)
InChIKeyUAFNGMRXHNAKEN-UHFFFAOYSA-N
MW207.12 g/mol
LogP0.35
Rot. Bonds4

About [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate

[5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate (PubChem CID 25244004) has the molecular formula C6H10NO5P and a molecular weight of 207.12 g/mol. Its IUPAC name is [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate
PubChem CID25244004
Molecular FormulaC6H10NO5P
Molecular Weight207.12 g/mol
Exact Mass207.03
IUPAC Name[5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate
SMILESNCc1cc(COP(=O)(O)O)co1
InChIInChI=1S/C6H10NO5P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1,3H,2,4,7H2,(H2,8,9,10)
InChIKeyUAFNGMRXHNAKEN-UHFFFAOYSA-N
XLogP0.35
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate?
The IUPAC name of [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate (CID 25244004) is [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate?
The canonical SMILES for [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate is NCc1cc(COP(=O)(O)O)co1.
What is the InChIKey of [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate?
The InChIKey is UAFNGMRXHNAKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO5P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1,3H,2,4,7H2,(H2,8,9,10).
What are the key properties of [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate?
[5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate has a molecular weight of 207.12 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-3-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 25244004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).