(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde

C11H12O4 — CID 11252764

IUPAC(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde
SMILESO=C[C@H]1OC(c2ccccc2)OC[C@H]1O
InChIInChI=1S/C11H12O4/c12-6-10-9(13)7-14-11(15-10)8-4-2-1-3-5-8/h1-6,9-11,13H,7H2/t9-,10-,11?/m1/s1
InChIKeyWGXOIVORNNWRAD-DIOIDXFWSA-N
MW208.21 g/mol
LogP0.66
Rot. Bonds2

About (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde

(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde (PubChem CID 11252764) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde
PubChem CID11252764
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde
SMILESO=C[C@H]1OC(c2ccccc2)OC[C@H]1O
InChIInChI=1S/C11H12O4/c12-6-10-9(13)7-14-11(15-10)8-4-2-1-3-5-8/h1-6,9-11,13H,7H2/t9-,10-,11?/m1/s1
InChIKeyWGXOIVORNNWRAD-DIOIDXFWSA-N
XLogP0.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde (CID 11252764) is (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde is O=C[C@H]1OC(c2ccccc2)OC[C@H]1O.
What is the InChIKey of (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde?
The InChIKey is WGXOIVORNNWRAD-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H12O4/c12-6-10-9(13)7-14-11(15-10)8-4-2-1-3-5-8/h1-6,9-11,13H,7H2/t9-,10-,11?/m1/s1.
What are the key properties of (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde?
(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde has a molecular weight of 208.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 11252764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).