dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate

C32H33NO8Se — CID 25053792

IUPACdimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)N(Cc2ccc(OC)cc2)C(=O)[C@@H]2C[C@H](OCc3ccccc3)O[C@@]21C[Se]c1ccccc1
InChIInChI=1S/C32H33NO8Se/c1-37-24-16-14-22(15-17-24)19-33-28(34)26-18-27(40-20-23-10-6-4-7-11-23)41-31(26,21-42-25-12-8-5-9-13-25)32(33,29(35)38-2)30(36)39-3/h4-17,26-27H,18-21H2,1-3H3/t26-,27+,31-/m0/s1
InChIKeyYLPNKQWJXYSROI-PZXMZKPCSA-N
MW638.58 g/mol
LogP2.89
Rot. Bonds11

About dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate

dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate (PubChem CID 25053792) has the molecular formula C32H33NO8Se and a molecular weight of 638.58 g/mol. Its IUPAC name is dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate
PubChem CID25053792
Molecular FormulaC32H33NO8Se
Molecular Weight638.58 g/mol
Exact Mass639.14
IUPAC Namedimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)N(Cc2ccc(OC)cc2)C(=O)[C@@H]2C[C@H](OCc3ccccc3)O[C@@]21C[Se]c1ccccc1
InChIInChI=1S/C32H33NO8Se/c1-37-24-16-14-22(15-17-24)19-33-28(34)26-18-27(40-20-23-10-6-4-7-11-23)41-31(26,21-42-25-12-8-5-9-13-25)32(33,29(35)38-2)30(36)39-3/h4-17,26-27H,18-21H2,1-3H3/t26-,27+,31-/m0/s1
InChIKeyYLPNKQWJXYSROI-PZXMZKPCSA-N
XLogP2.89
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.58
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2R,5S,11S,13R,14E,20R,21R)-7-benzyl-4-[(4-methoxyphenyl)methyl]-19,20-dimethyl-21-phenyl-12,22-dioxa-4,7,19-triazatetracyclo[11.10.0.02,11.05,11]tricosa-9,14-diene-3,6,18,23-tetrone
CID 23757311
6-O-benzyl 6-O'-tert-butyl (3aR,6S,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate
CID 11170176
tert-butyl (3R,3aR,6aS)-3-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-2,6-dioxo-3a,4-dihydro-3H-furo[3,4-b]pyrrole-6a-carboxylate
CID 11188920
methyl (3aR,6R,6aS)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)methyl]-6a-methyl-2,4-dioxo-3,3a-dihydrofuro[2,3-c]pyrrole-6-carboxylate
CID 46703274
2-O-benzyl 2-O'-tert-butyl (2S,3R,4R)-4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxo-3-(phenylselanylmethyl)pyrrolidine-2,2-dicarboxylate
CID 58773481
tert-butyl (2R,3aR,6R,6aS)-6-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-5-[(4-methoxyphenyl)methyl]-6a-methyl-4-oxo-2-phenylmethoxy-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6-carboxylate
CID 58773490
tert-butyl (2R,3aR,6R,6aS)-6-[(S)-[(1R)-cyclohex-2-en-1-yl]-hydroxymethyl]-5-[(4-methoxyphenyl)methyl]-6a-methyl-4-oxo-2-phenylmethoxy-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6-carboxylate
CID 58773541
(1R,2S,5R,9E,15R,16R,19S,20S)-7-benzyl-4-[(4-methoxyphenyl)methyl]-14,15-dimethyl-16-phenyl-17,23-dioxa-4,7,14-triazatetracyclo[18.2.1.01,5.02,19]tricosa-9,21-diene-3,6,13,18-tetrone
CID 23806092
methyl (3aR,6R,6aS)-5-[(4-methoxyphenyl)methyl]-6a-methyl-2,4-dioxo-6-(phenylmethoxymethyl)-3,3a-dihydrofuro[2,3-c]pyrrole-6-carboxylate
CID 25033976
methyl (3aR,6S,6aS)-6-formyl-5-[(4-methoxyphenyl)methyl]-6a-methyl-2,4-dioxo-3,3a-dihydrofuro[2,3-c]pyrrole-6-carboxylate
CID 25033978
dimethyl (4R)-4-(2-acetyloxyethyl)-1-[(4-methoxyphenyl)methyl]-3-methylidene-5-oxopyrrolidine-2,2-dicarboxylate
CID 25053736
methyl (2R,3aR,6S,6aS)-6-formyl-5-[(4-methoxyphenyl)methyl]-6a-methyl-4-oxo-2-phenylmethoxy-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6-carboxylate
CID 25053793

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate?
The IUPAC name of dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate (CID 25053792) is dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate?
The canonical SMILES for dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate is COC(=O)C1(C(=O)OC)N(Cc2ccc(OC)cc2)C(=O)[C@@H]2C[C@H](OCc3ccccc3)O[C@@]21C[Se]c1ccccc1.
What is the InChIKey of dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate?
The InChIKey is YLPNKQWJXYSROI-PZXMZKPCSA-N. The full InChI is InChI=1S/C32H33NO8Se/c1-37-24-16-14-22(15-17-24)19-33-28(34)26-18-27(40-20-23-10-6-4-7-11-23)41-31(26,21-42-25-12-8-5-9-13-25)32(33,29(35)38-2)30(36)39-3/h4-17,26-27H,18-21H2,1-3H3/t26-,27+,31-/m0/s1.
What are the key properties of dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate?
dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate has a molecular weight of 638.58 g/mol, XLogP of 2.89, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3aR,6aS)-5-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylmethoxy-6a-(phenylselanylmethyl)-3,3a-dihydro-2H-furo[2,3-c]pyrrole-6,6-dicarboxylate is sourced from PubChem (CID 25053792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).