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Molecule
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
Identifiers
CAS Registry Number
29894-35-7
SMILES
CCCCCC[C@@H](O)C/C=CCCCCCCCC(=O)O.OCC(O)CO
InChI Key
CJJXHKDWGQADHB-DPMBMXLASA-N
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
Names and Synonyms
- Polyglycerol Polyricinoleate Synonym
- 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, polymer with 1,2,3-propanetriol Synonym
- 9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-, polymer with 1,2,3-propanetriol Synonym
- 1,2,3-Propanetriol, polymer with [R-(Z)]-12-hydroxy-9-octadecenoic acid Synonym
- 1,2,3-Propanetriol, polymer with (9Z,12R)-12-hydroxy-9-octadecenoic acid Synonym
- Polyglycerol-polyricinoleate Synonym
- Grindsted PGPR 90 Synonym
- Quest PGPR Synonym
- Polymuls PGPR Synonym
- Hexalyn PR 15 Synonym
- E 476 Synonym
- PGPR 90 Synonym
- Sugin 476M Synonym
- Sunsoft AZ 14EG Synonym
- Admul 1408K Synonym
- Admul WOL 1408K Synonym
- Nikkol Decaglyn PR 20 Synonym
- Palsgaard 4125 Synonym
- Palsgaard 0450 Synonym
- Polyglycerin-polyricinoleate Synonym
- Cithrol PG 3PR Synonym
- PGPR 4125 Synonym
- Palsgaard PGPR 4125 Synonym
- PGPR 4175 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 390.56 g/mol | CAS Common Chemistry |
| 390.56100000000004 g/mol | RDKit | |
| 390.561 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 |
| 118.22 Ų | RDKit | |
| LogP | 3.4112000000000013 | RDKit |
| 3.4112 | RDKit | |
| Molar Refractivity | 108.65600000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 390.2981390639999 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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20
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 = 390.56 g/mol. Edit any field — others recompute live.
