(4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane

C24H23B3O6 — CID 124930928

IUPAC(4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane
SMILESc1ccc(B2O[C@@H]([C@H]3COB(c4ccccc4)O3)[C@H]([C@H]3COB(c4ccccc4)O3)O2)cc1
InChIInChI=1S/C24H23B3O6/c1-4-10-18(11-5-1)25-28-16-21(30-25)23-24(33-27(32-23)20-14-8-3-9-15-20)22-17-29-26(31-22)19-12-6-2-7-13-19/h1-15,21-24H,16-17H2/t21-,22-,23+,24+/m1/s1
InChIKeySJBOHRFCOHUSSF-LWSSLDFYSA-N
MW439.88 g/mol
LogP0.79
Rot. Bonds5

About (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane

(4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane (PubChem CID 124930928) has the molecular formula C24H23B3O6 and a molecular weight of 439.88 g/mol. Its IUPAC name is (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane
PubChem CID124930928
Molecular FormulaC24H23B3O6
Molecular Weight439.88 g/mol
Exact Mass440.18
IUPAC Name(4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane
SMILESc1ccc(B2O[C@@H]([C@H]3COB(c4ccccc4)O3)[C@H]([C@H]3COB(c4ccccc4)O3)O2)cc1
InChIInChI=1S/C24H23B3O6/c1-4-10-18(11-5-1)25-28-16-21(30-25)23-24(33-27(32-23)20-14-8-3-9-15-20)22-17-29-26(31-22)19-12-6-2-7-13-19/h1-15,21-24H,16-17H2/t21-,22-,23+,24+/m1/s1
InChIKeySJBOHRFCOHUSSF-LWSSLDFYSA-N
XLogP0.79
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane?
The IUPAC name of (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane (CID 124930928) is (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane?
The canonical SMILES for (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane is c1ccc(B2O[C@@H]([C@H]3COB(c4ccccc4)O3)[C@H]([C@H]3COB(c4ccccc4)O3)O2)cc1.
What is the InChIKey of (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane?
The InChIKey is SJBOHRFCOHUSSF-LWSSLDFYSA-N. The full InChI is InChI=1S/C24H23B3O6/c1-4-10-18(11-5-1)25-28-16-21(30-25)23-24(33-27(32-23)20-14-8-3-9-15-20)22-17-29-26(31-22)19-12-6-2-7-13-19/h1-15,21-24H,16-17H2/t21-,22-,23+,24+/m1/s1.
What are the key properties of (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane?
(4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane has a molecular weight of 439.88 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 124930928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).