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Polyglycerol Polyricinoleate
CAS: 29894-35-7 | C21H42O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29894-35-7
Molecular Formula:
C21H42O6
Molecular Mass:
390.56 g/mol
Names and Synonyms:
Polyglycerol Polyricinoleate
9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, polymer with 1,2,3-propanetriol
9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-, polymer with 1,2,3-propanetriol
1,2,3-Propanetriol, polymer with [R-(Z)]-12-hydroxy-9-octadecenoic acid
1,2,3-Propanetriol, polymer with (9Z,12R)-12-hydroxy-9-octadecenoic acid
Polyglycerol-polyricinoleate
Grindsted PGPR 90
Quest PGPR
Polymuls PGPR
Hexalyn PR 15
E 476
PGPR 90
Sugin 476M
Sunsoft AZ 14EG
Admul 1408K
Admul WOL 1408K
Nikkol Decaglyn PR 20
Palsgaard 4125
Palsgaard 0450
Polyglycerin-polyricinoleate
Cithrol PG 3PR
PGPR 4125
Palsgaard PGPR 4125
PGPR 4175
Identifiers:
SMILES:
CCCCCC[C@@H](O)C/C=CCCCCCCCC(=O)O.OCC(O)CO
InChI:
InChI=1S/C18H34O3.C3H8O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;4-1-3(6)2-5/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3-6H,1-2H2/b12-9-;/t17-;/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 | 390.56 g/mol | CAS Common Chemistry |
| 390.56100000000004 g/mol | RDKit | |
| 390.2981390639999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Polyglycerol_polyricinoleate | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCC=CCC(O)CCCCCC.OCC(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C18H34O3.C3H8O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;4-1-3(6)2-5/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3-6H,1-2H2/b12-9-;/t17-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CJJXHKDWGQADHB-DPMBMXLASA-N | CAS Common Chemistry |
| Name | Polyglycerol-polyricinoleate | CAS Common Chemistry |
| Polyglycerol polyricinoleate | CAS Common Chemistry | |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 118.22000000000001 Ų | RDKit |
| LogP | 3.4112000000000013 | RDKit |
| Molar Refractivity | 108.65600000000006 | RDKit |
