5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde

C22H22O9 — CID 10365377

IUPAC5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde
SMILESC/C=C/c1oc(=O)c(COCc2c(OC)c(C=O)c(/C=C/C)oc2=O)c(OC)c1C=O
InChIInChI=1S/C22H22O9/c1-5-7-17-13(9-23)19(27-3)15(21(25)30-17)11-29-12-16-20(28-4)14(10-24)18(8-6-2)31-22(16)26/h5-10H,11-12H2,1-4H3/b7-5+,8-6+
InChIKeyJVZZGVWFZOLMKX-KQQUZDAGSA-N
MW430.41 g/mol
LogP3.02
Rot. Bonds10

About 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde

5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde (PubChem CID 10365377) has the molecular formula C22H22O9 and a molecular weight of 430.41 g/mol. Its IUPAC name is 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde.

Molecular Properties

Compound Name5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde
PubChem CID10365377
Molecular FormulaC22H22O9
Molecular Weight430.41 g/mol
Exact Mass430.13
IUPAC Name5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde
SMILESC/C=C/c1oc(=O)c(COCc2c(OC)c(C=O)c(/C=C/C)oc2=O)c(OC)c1C=O
InChIInChI=1S/C22H22O9/c1-5-7-17-13(9-23)19(27-3)15(21(25)30-17)11-29-12-16-20(28-4)14(10-24)18(8-6-2)31-22(16)26/h5-10H,11-12H2,1-4H3/b7-5+,8-6+
InChIKeyJVZZGVWFZOLMKX-KQQUZDAGSA-N
XLogP3.02
TPSA122.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde?
The IUPAC name of 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde (CID 10365377) is 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde.
What is the SMILES notation for 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde?
The canonical SMILES for 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde is C/C=C/c1oc(=O)c(COCc2c(OC)c(C=O)c(/C=C/C)oc2=O)c(OC)c1C=O.
What is the InChIKey of 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde?
The InChIKey is JVZZGVWFZOLMKX-KQQUZDAGSA-N. The full InChI is InChI=1S/C22H22O9/c1-5-7-17-13(9-23)19(27-3)15(21(25)30-17)11-29-12-16-20(28-4)14(10-24)18(8-6-2)31-22(16)26/h5-10H,11-12H2,1-4H3/b7-5+,8-6+.
What are the key properties of 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde?
5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde has a molecular weight of 430.41 g/mol, XLogP of 3.02, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-formyl-4-methoxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]methoxymethyl]-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde is sourced from PubChem (CID 10365377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).