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Ascorbyl Palmitate
CAS: 137-66-6 | C22H38O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
137-66-6
Molecular Formula:
C22H38O7
Molecular Mass:
414.54 g/mol
Names and Synonyms:
Ascorbyl Palmitate
L-Ascorbic acid, 6-hexadecanoate
L-Ascorbic acid, 6-palmitate
Palmitic acid, 6-ester with ascorbic acid
Palmitoyl L-ascorbic acid
Ascorbyl palmitate
Ascorbylpalmitic acid
L-Ascorbyl palmitate
Ascorbyl monopalmitate
6-Monopalmitoyl-L-ascorbate
Ascorbic palmitate
6-O-Palmitoylascorbic acid
6-Palmitoylascorbic acid
Ascorbic acid palmitate
Cetyl ascorbate
Ondascora
Quicifal
L-Ascorbyl 6-palmitate
6-Hexadecanoyl-L-ascorbic acid
L-Ascorbyl monopalmitate
Ascorbyl 6-palmitate
Ascorboyl palmitate
Ascorbic acid 6-palmitate
6-Palmitate-L-ascorbic acid
6-O-Palmitoyl-L-ascorbic acid
6-O-Palmitoyl-L-ascorbic acid
NSC 402451
VCP 10
E 304
Vcpal
Grindox 562
AP
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChI:
InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1
Key Properties
Melting Point
116 °C
CAS Common Chemistry
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 | 414.54 g/mol | CAS Common Chemistry |
| 414.5390000000001 g/mol | RDKit | |
| 414.26175355599986 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ascorbyl_palmitate | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(C(O)=C1O)C(O)COC(=O)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QAQJMLQRFWZOBN-LAUBAEHRSA-N | CAS Common Chemistry |
| Melting Point | 116 °C | CAS Common Chemistry |
| Name | Ascorbyl palmitate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 113.29000000000002 Ų | RDKit |
| LogP | 4.624800000000002 | RDKit |
| Molar Refractivity | 109.44140000000009 | RDKit |
