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Molecule
Sepilift Dphp
CAS: 41672-81-5 · C37H69NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 41672-81-5
- Molecular Formula
- C37H69NO5
- Molecular Mass
- 607.96 g/mol
Identifiers
CAS Registry Number
41672-81-5
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCCCCCCCCCCCCCC)C1
InChI Key
QZLXCFQVOCEKSX-NOCHOARKSA-N
InChI
InChI=1S/C37H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)38-32-33(31-34(38)37(41)42)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)/t33-,34+/m1/s1
Names and Synonyms
- Sepilift Dphp Common Name
- L-Proline, 1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-, (4R)- Synonym
- L-Proline, 1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-, trans- Synonym
- (4R)-1-(1-Oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-L-proline Synonym
- O,N-Dipalmitoylhydroxyproline Synonym
- Lipacide DPHP Synonym
- Sepilift DPHP Synonym
- DPHP Synonym
- Simulgel DPHP Synonym
- 1,4-Dipalmitoyl hydroxyproline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 607.96 g/mol | CAS Common Chemistry |
| 607.961 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CN(C(=O)CCCCCCCCCCCCCCC)C(C(=O)O)C1)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C37H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)38-32-33(31-34(38)37(41)42)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)/t33-,34+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QZLXCFQVOCEKSX-NOCHOARKSA-N | CAS Common Chemistry |
| Name | Sepilift DPHP | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 30 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.91 Ų | RDKit |
| 83.68 Ų | chempirical lib | |
| LogP | 10.546299999999995 | RDKit |
| 10.5463 | RDKit | |
| Molar Refractivity | 178.25779999999952 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9189 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 607.517574308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 607.96 g/mol. Edit any field — others recompute live.
