[5-(azaniumylmethyl)furan-3-yl]methyl phosphate

C6H9NO5P- — CID 25200570

IUPAC[5-(azaniumylmethyl)furan-3-yl]methyl phosphate
SMILES[NH3+]Cc1cc(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)/p-1
InChIKeyUAFNGMRXHNAKEN-UHFFFAOYSA-M
MW206.11 g/mol
LogP-1.63
Rot. Bonds4

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

[5-(azaniumylmethyl)furan-3-yl]methyl phosphate (PubChem CID 25200570) has the molecular formula C6H9NO5P- and a molecular weight of 206.11 g/mol. Its IUPAC name is [5-(azaniumylmethyl)furan-3-yl]methyl phosphate.

Molecular Properties

Compound Name[5-(azaniumylmethyl)furan-3-yl]methyl phosphate
PubChem CID25200570
Molecular FormulaC6H9NO5P-
Molecular Weight206.11 g/mol
Exact Mass206.02
IUPAC Name[5-(azaniumylmethyl)furan-3-yl]methyl phosphate
SMILES[NH3+]Cc1cc(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)/p-1
InChIKeyUAFNGMRXHNAKEN-UHFFFAOYSA-M
XLogP-1.63
TPSA113.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(azaniumylmethyl)furan-3-yl]methyl phosphate?
The IUPAC name of [5-(azaniumylmethyl)furan-3-yl]methyl phosphate (CID 25200570) is [5-(azaniumylmethyl)furan-3-yl]methyl phosphate.
What is the SMILES notation for [5-(azaniumylmethyl)furan-3-yl]methyl phosphate?
The canonical SMILES for [5-(azaniumylmethyl)furan-3-yl]methyl phosphate is [NH3+]Cc1cc(COP(=O)([O-])[O-])co1.
What is the InChIKey of [5-(azaniumylmethyl)furan-3-yl]methyl phosphate?
The InChIKey is UAFNGMRXHNAKEN-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of [5-(azaniumylmethyl)furan-3-yl]methyl phosphate?
[5-(azaniumylmethyl)furan-3-yl]methyl phosphate has a molecular weight of 206.11 g/mol, XLogP of -1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(azaniumylmethyl)furan-3-yl]methyl phosphate is sourced from PubChem (CID 25200570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).