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Sepilift Dphp
CAS: 41672-81-5 | C37H69NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41672-81-5
Molecular Formula:
C37H69NO5
Molecular Mass:
607.96 g/mol
Names and Synonyms:
Sepilift Dphp
L-Proline, 1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-, (4R)-
L-Proline, 1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-, trans-
(4R)-1-(1-Oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-L-proline
O,N-Dipalmitoylhydroxyproline
Lipacide DPHP
Sepilift DPHP
DPHP
Simulgel DPHP
1,4-Dipalmitoyl hydroxyproline
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCCCCCCCCCCCCCC)C1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 607.96 g/mol | CAS Common Chemistry |
| 607.961 g/mol | RDKit | |
| 607.517574308 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 |
| LogP | 10.546299999999995 | RDKit |
| Molar Refractivity | 178.25779999999952 | RDKit |
