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Molecule
Peg 120 Methyl Glucose Dioleate
CAS: 86893-19-8 · C47H86O10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86893-19-8
- Molecular Formula
- C47H86O10
- Molecular Mass
- 811.20 g/mol
Identifiers
CAS Registry Number
86893-19-8
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(OC)C(OC(=O)CCCCCCCC=CCCCCCCCC)C(OCCO)C1OCCO
InChI Key
HHNIHVNWPBVSIN-UHFFFAOYSA-N
InChI
InChI=1S/C47H86O10/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(50)55-40-41-44(53-38-36-48)45(54-39-37-49)46(47(52-3)56-41)57-43(51)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,41,44-49H,4-17,22-40H2,1-3H3
Names and Synonyms
- Peg 120 Methyl Glucose Dioleate Common Name
- Poly(oxy-1,2-ethanediyl), α-hydro-ω-hydroxy-, ether with methyl D-glucopyranoside 2,6-di-(9Z)-9-octadecenoate (2:1) Synonym
- Poly(oxy-1,2-ethanediyl), α-hydro-ω-hydroxy-, ether with methyl D-glucopyranoside 2,6-di-9-octadecenoate (2:1), (Z,Z)- Synonym
- Glucamate DOE 120 Synonym
- Antil 120 Synonym
- PEG 120 methyl glucose dioleate Synonym
- Antil 120 Plus Synonym
- Antil 127 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 811.20 g/mol | CAS Common Chemistry |
| 811.1949999999997 g/mol | RDKit | |
| 811.195 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1OC(OC)C(OC(=O)CCCCCCCC=CCCCCCCCC)C(OCCO)C1OCCO)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C47H86O10/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(50)55-40-41-44(53-38-36-48)45(54-39-37-49)46(47(52-3)56-41)57-43(51)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,41,44-49H,4-17,22-40H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HHNIHVNWPBVSIN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | PEG 120 methyl glucose dioleate | CAS Common Chemistry |
| Heavy Atom Count | 57 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 40 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 129.98000000000002 Ų | RDKit |
| 129.98 Ų | RDKit | |
| LogP | 10.642699999999992 | RDKit |
| 10.6427 | RDKit | |
| Molar Refractivity | 229.06459999999902 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8723 | RDKit |
| 0.87 | chempirical lib | |
| Exact Mass | 810.6220989520001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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.
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MW = 811.20 g/mol. Edit any field — others recompute live.
