5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde

C17H24O9P2 — CID 90795466

IUPAC5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde
SMILESCCOP(=O)(OCC)c1ccc(-c2cc(P(=O)(OCC)OCC)oc2C=O)o1
InChIInChI=1S/C17H24O9P2/c1-5-21-27(19,22-6-2)16-10-9-14(25-16)13-11-17(26-15(13)12-18)28(20,23-7-3)24-8-4/h9-12H,5-8H2,1-4H3
InChIKeyYOJKZRRIYGJOSC-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.13
Rot. Bonds12

About 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde

5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde (PubChem CID 90795466) has the molecular formula C17H24O9P2 and a molecular weight of 434.32 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde
PubChem CID90795466
Molecular FormulaC17H24O9P2
Molecular Weight434.32 g/mol
Exact Mass434.09
IUPAC Name5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde
SMILESCCOP(=O)(OCC)c1ccc(-c2cc(P(=O)(OCC)OCC)oc2C=O)o1
InChIInChI=1S/C17H24O9P2/c1-5-21-27(19,22-6-2)16-10-9-14(25-16)13-11-17(26-15(13)12-18)28(20,23-7-3)24-8-4/h9-12H,5-8H2,1-4H3
InChIKeyYOJKZRRIYGJOSC-UHFFFAOYSA-N
XLogP4.13
TPSA114.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde?
The IUPAC name of 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde (CID 90795466) is 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde is CCOP(=O)(OCC)c1ccc(-c2cc(P(=O)(OCC)OCC)oc2C=O)o1.
What is the InChIKey of 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde?
The InChIKey is YOJKZRRIYGJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O9P2/c1-5-21-27(19,22-6-2)16-10-9-14(25-16)13-11-17(26-15(13)12-18)28(20,23-7-3)24-8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde?
5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde has a molecular weight of 434.32 g/mol, XLogP of 4.13, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-3-(5-diethoxyphosphorylfuran-2-yl)furan-2-carbaldehyde is sourced from PubChem (CID 90795466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).