(2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one

C27H24BrNO3 — CID 134961039

IUPAC(2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one
SMILESO=C1C2=C(CN1Cc1ccccc1)[C@@H](c1ccccc1)[C@](Br)(Cc1ccccc1)[C@H](O)O2
InChIInChI=1S/C27H24BrNO3/c28-27(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)22-18-29(17-20-12-6-2-7-13-20)25(30)24(22)32-26(27)31/h1-15,23,26,31H,16-18H2/t23-,26-,27-/m1/s1
InChIKeyJYXQHJDJGGABOA-XSBVVTFOSA-N
MW490.40 g/mol
LogP4.79
Rot. Bonds5

About (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one

(2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one (PubChem CID 134961039) has the molecular formula C27H24BrNO3 and a molecular weight of 490.40 g/mol. Its IUPAC name is (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one.

Molecular Properties

Compound Name(2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one
PubChem CID134961039
Molecular FormulaC27H24BrNO3
Molecular Weight490.40 g/mol
Exact Mass489.09
IUPAC Name(2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one
SMILESO=C1C2=C(CN1Cc1ccccc1)[C@@H](c1ccccc1)[C@](Br)(Cc1ccccc1)[C@H](O)O2
InChIInChI=1S/C27H24BrNO3/c28-27(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)22-18-29(17-20-12-6-2-7-13-20)25(30)24(22)32-26(27)31/h1-15,23,26,31H,16-18H2/t23-,26-,27-/m1/s1
InChIKeyJYXQHJDJGGABOA-XSBVVTFOSA-N
XLogP4.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one 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 (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one?
The IUPAC name of (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one (CID 134961039) is (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one.
What is the SMILES notation for (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one?
The canonical SMILES for (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one is O=C1C2=C(CN1Cc1ccccc1)[C@@H](c1ccccc1)[C@](Br)(Cc1ccccc1)[C@H](O)O2.
What is the InChIKey of (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one?
The InChIKey is JYXQHJDJGGABOA-XSBVVTFOSA-N. The full InChI is InChI=1S/C27H24BrNO3/c28-27(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)22-18-29(17-20-12-6-2-7-13-20)25(30)24(22)32-26(27)31/h1-15,23,26,31H,16-18H2/t23-,26-,27-/m1/s1.
What are the key properties of (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one?
(2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one has a molecular weight of 490.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3,6-dibenzyl-3-bromo-2-hydroxy-4-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrrol-7-one is sourced from PubChem (CID 134961039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).