(4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde

C10H9BO4 — CID 87430373

IUPAC(4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde
SMILESO=C[C@H]1OB(c2ccccc2)O[C@@H]1C=O
InChIInChI=1S/C10H9BO4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-7,9-10H/t9-,10-/m1/s1
InChIKeyZPAHUEPFFQDJIG-NXEZZACHSA-N
MW203.99 g/mol
LogP-0.44
Rot. Bonds3

About (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde

(4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde (PubChem CID 87430373) has the molecular formula C10H9BO4 and a molecular weight of 203.99 g/mol. Its IUPAC name is (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde.

Molecular Properties

Compound Name(4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde
PubChem CID87430373
Molecular FormulaC10H9BO4
Molecular Weight203.99 g/mol
Exact Mass204.06
IUPAC Name(4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde
SMILESO=C[C@H]1OB(c2ccccc2)O[C@@H]1C=O
InChIInChI=1S/C10H9BO4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-7,9-10H/t9-,10-/m1/s1
InChIKeyZPAHUEPFFQDJIG-NXEZZACHSA-N
XLogP-0.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.99
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde?
The IUPAC name of (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde (CID 87430373) is (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde.
What is the SMILES notation for (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde?
The canonical SMILES for (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde is O=C[C@H]1OB(c2ccccc2)O[C@@H]1C=O.
What is the InChIKey of (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde?
The InChIKey is ZPAHUEPFFQDJIG-NXEZZACHSA-N. The full InChI is InChI=1S/C10H9BO4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-7,9-10H/t9-,10-/m1/s1.
What are the key properties of (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde?
(4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde has a molecular weight of 203.99 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde is sourced from PubChem (CID 87430373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).