furan-2-carbaldehyde phosphate

C5H4O6P-3 — CID 20507502

IUPACfuran-2-carbaldehyde phosphate
SMILESO=Cc1ccco1.O=P([O-])([O-])[O-]
InChIInChI=1S/C5H4O2.H3O4P/c6-4-5-2-1-3-7-5;1-5(2,3)4/h1-4H;(H3,1,2,3,4)/p-3
InChIKeyLVNGBSOVXBBDPQ-UHFFFAOYSA-K
MW191.06 g/mol
LogP-1.73
Rot. Bonds1

About furan-2-carbaldehyde phosphate

furan-2-carbaldehyde phosphate (PubChem CID 20507502) has the molecular formula C5H4O6P-3 and a molecular weight of 191.06 g/mol. Its IUPAC name is furan-2-carbaldehyde phosphate.

Molecular Properties

Compound Namefuran-2-carbaldehyde phosphate
PubChem CID20507502
Molecular FormulaC5H4O6P-3
Molecular Weight191.06 g/mol
Exact Mass190.98
IUPAC Namefuran-2-carbaldehyde phosphate
SMILESO=Cc1ccco1.O=P([O-])([O-])[O-]
InChIInChI=1S/C5H4O2.H3O4P/c6-4-5-2-1-3-7-5;1-5(2,3)4/h1-4H;(H3,1,2,3,4)/p-3
InChIKeyLVNGBSOVXBBDPQ-UHFFFAOYSA-K
XLogP-1.73
TPSA116.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-2-carbaldehyde phosphate?
The IUPAC name of furan-2-carbaldehyde phosphate (CID 20507502) is furan-2-carbaldehyde phosphate.
What is the SMILES notation for furan-2-carbaldehyde phosphate?
The canonical SMILES for furan-2-carbaldehyde phosphate is O=Cc1ccco1.O=P([O-])([O-])[O-].
What is the InChIKey of furan-2-carbaldehyde phosphate?
The InChIKey is LVNGBSOVXBBDPQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H4O2.H3O4P/c6-4-5-2-1-3-7-5;1-5(2,3)4/h1-4H;(H3,1,2,3,4)/p-3.
What are the key properties of furan-2-carbaldehyde phosphate?
furan-2-carbaldehyde phosphate has a molecular weight of 191.06 g/mol, XLogP of -1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carbaldehyde phosphate is sourced from PubChem (CID 20507502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).