2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde

C36H36F2O6 — CID 139438421

IUPAC2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde
SMILESO=CC(F)(F)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H36F2O6/c37-36(38,26-39)35-34(43-24-30-19-11-4-12-20-30)33(42-23-29-17-9-3-10-18-29)32(41-22-28-15-7-2-8-16-28)31(44-35)25-40-21-27-13-5-1-6-14-27/h1-20,26,31-35H,21-25H2/t31-,32-,33+,34-,35-/m1/s1
InChIKeyOICRKVDQDOMBJZ-CKQPALCZSA-N
MW602.67 g/mol
LogP6.56
Rot. Bonds15

About 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde

2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde (PubChem CID 139438421) has the molecular formula C36H36F2O6 and a molecular weight of 602.67 g/mol. Its IUPAC name is 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde
PubChem CID139438421
Molecular FormulaC36H36F2O6
Molecular Weight602.67 g/mol
Exact Mass602.25
IUPAC Name2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde
SMILESO=CC(F)(F)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H36F2O6/c37-36(38,26-39)35-34(43-24-30-19-11-4-12-20-30)33(42-23-29-17-9-3-10-18-29)32(41-22-28-15-7-2-8-16-28)31(44-35)25-40-21-27-13-5-1-6-14-27/h1-20,26,31-35H,21-25H2/t31-,32-,33+,34-,35-/m1/s1
InChIKeyOICRKVDQDOMBJZ-CKQPALCZSA-N
XLogP6.56
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.67
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde 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 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde?
The IUPAC name of 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde (CID 139438421) is 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde is O=CC(F)(F)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde?
The InChIKey is OICRKVDQDOMBJZ-CKQPALCZSA-N. The full InChI is InChI=1S/C36H36F2O6/c37-36(38,26-39)35-34(43-24-30-19-11-4-12-20-30)33(42-23-29-17-9-3-10-18-29)32(41-22-28-15-7-2-8-16-28)31(44-35)25-40-21-27-13-5-1-6-14-27/h1-20,26,31-35H,21-25H2/t31-,32-,33+,34-,35-/m1/s1.
What are the key properties of 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde?
2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde has a molecular weight of 602.67 g/mol, XLogP of 6.56, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde is sourced from PubChem (CID 139438421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).