5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium

C9H10IrN2O5 — CID 169252384

IUPAC5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium
SMILESO=CC1OC(n2ccc(=O)[nH]c2=O)CC1O.[Ir]
InChIInChI=1S/C9H10N2O5.Ir/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15;/h1-2,4-6,8,13H,3H2,(H,10,14,15);
InChIKeyVUVBDOXHQTUNLB-UHFFFAOYSA-N
MW418.41 g/mol
LogP-1.62
Rot. Bonds2

About 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium

5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium (PubChem CID 169252384) has the molecular formula C9H10IrN2O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium.

Molecular Properties

Compound Name5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium
PubChem CID169252384
Molecular FormulaC9H10IrN2O5
Molecular Weight418.41 g/mol
Exact Mass419.02
IUPAC Name5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium
SMILESO=CC1OC(n2ccc(=O)[nH]c2=O)CC1O.[Ir]
InChIInChI=1S/C9H10N2O5.Ir/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15;/h1-2,4-6,8,13H,3H2,(H,10,14,15);
InChIKeyVUVBDOXHQTUNLB-UHFFFAOYSA-N
XLogP-1.62
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-3-carbaldehyde
CID 3011752
N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]formamide
CID 14842983
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[(2R,4S,5R)-4-hydroxy-5-(sulfanyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 18396706
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,4S,5R)-5-(ethoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 22837617
1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
CID 5326138
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methaneseleninic acid
CID 102520130
diiminoazanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174696947

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium?
The IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium (CID 169252384) is 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium.
What is the SMILES notation for 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium?
The canonical SMILES for 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium is O=CC1OC(n2ccc(=O)[nH]c2=O)CC1O.[Ir].
What is the InChIKey of 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium?
The InChIKey is VUVBDOXHQTUNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5.Ir/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15;/h1-2,4-6,8,13H,3H2,(H,10,14,15);.
What are the key properties of 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium?
5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium has a molecular weight of 418.41 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium is sourced from PubChem (CID 169252384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).