dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate

C48H46N2O9 — CID 16753169

IUPACdimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate
SMILESCOC(=O)c1nnc(C(=O)OC)c([C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C48H46N2O9/c1-53-47(51)41-39(37-26-16-7-17-27-37)40(42(50-49-41)48(52)54-2)44-46(58-31-36-24-14-6-15-25-36)45(57-30-35-22-12-5-13-23-35)43(56-29-34-20-10-4-11-21-34)38(59-44)32-55-28-33-18-8-3-9-19-33/h3-27,38,43-46H,28-32H2,1-2H3/t38-,43-,44-,45+,46?/m1/s1
InChIKeyNFEYJPPQCCAUPQ-FEXXHYSCSA-N
MW794.90 g/mol
LogP8.13
Rot. Bonds17

About dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate

dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate (PubChem CID 16753169) has the molecular formula C48H46N2O9 and a molecular weight of 794.90 g/mol. Its IUPAC name is dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate
PubChem CID16753169
Molecular FormulaC48H46N2O9
Molecular Weight794.90 g/mol
Exact Mass794.32
IUPAC Namedimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate
SMILESCOC(=O)c1nnc(C(=O)OC)c([C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C48H46N2O9/c1-53-47(51)41-39(37-26-16-7-17-27-37)40(42(50-49-41)48(52)54-2)44-46(58-31-36-24-14-6-15-25-36)45(57-30-35-22-12-5-13-23-35)43(56-29-34-20-10-4-11-21-34)38(59-44)32-55-28-33-18-8-3-9-19-33/h3-27,38,43-46H,28-32H2,1-2H3/t38-,43-,44-,45+,46?/m1/s1
InChIKeyNFEYJPPQCCAUPQ-FEXXHYSCSA-N
XLogP8.13
TPSA124.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500794.90
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-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

dimethyl 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyridazine-3,6-dicarboxylate
CID 134912960
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylic acid
CID 102396248
methyl 5-[[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]furan-2-carboxylate
CID 10897647
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
N-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 10627095
1-[2,4,6-trihydroxy-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]ethanone
CID 123443570
methyl 6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]pyridine-2-carboxylate
CID 102442996
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
6-hydroxy-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]benzo[a]anthracene-7,12-dione
CID 102502798
3-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoic acid
CID 135018017

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate?
The IUPAC name of dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate (CID 16753169) is dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate?
The canonical SMILES for dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate is COC(=O)c1nnc(C(=O)OC)c([C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate?
The InChIKey is NFEYJPPQCCAUPQ-FEXXHYSCSA-N. The full InChI is InChI=1S/C48H46N2O9/c1-53-47(51)41-39(37-26-16-7-17-27-37)40(42(50-49-41)48(52)54-2)44-46(58-31-36-24-14-6-15-25-36)45(57-30-35-22-12-5-13-23-35)43(56-29-34-20-10-4-11-21-34)38(59-44)32-55-28-33-18-8-3-9-19-33/h3-27,38,43-46H,28-32H2,1-2H3/t38-,43-,44-,45+,46?/m1/s1.
What are the key properties of dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate?
dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate has a molecular weight of 794.90 g/mol, XLogP of 8.13, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-phenyl-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pyridazine-3,6-dicarboxylate is sourced from PubChem (CID 16753169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).