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Molecule
Α-Hydro-Ω-Hydroxypoly(Oxy-1,2-Ethanediyl) Ether With Methyl Β-D-Glucopyranoside (4:1)
CAS: 68239-42-9 · C15H30O10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 68239-42-9
- Molecular Formula
- C15H30O10
- Molecular Mass
- 370.40 g/mol
Identifiers
CAS Registry Number
68239-42-9
SMILES
COC1OC(COCCO)C(OCCO)C(OCCO)C1OCCO
InChI Key
UITSPQLTFPTHJZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H30O10/c1-20-15-14(24-9-5-19)13(23-8-4-18)12(22-7-3-17)11(25-15)10-21-6-2-16/h11-19H,2-10H2,1H3
Names and Synonyms
- Α-Hydro-Ω-Hydroxypoly(Oxy-1,2-Ethanediyl) Ether With Methyl Β-D-Glucopyranoside (4:1) Systematic Name
- Poly(oxy-1,2-ethanediyl), α-hydro-ω-hydroxy-, ether with methyl β-D-glucopyranoside (4:1) Synonym
- α-Hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) ether with methyl β-D-glucopyranoside (4:1) Synonym
- Jiajiputaotangjumi 20 Synonym
- Gluco E 20 Synonym
- Methyl Gluceth 20 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 370.40 g/mol | CAS Common Chemistry |
| 370.39500000000015 g/mol | RDKit | |
| 370.395 g/mol | RDKit | |
| Canonical SMILES | OCCOCC1OC(OC)C(OCCO)C(OCCO)C1OCCO | CAS Common Chemistry |
| InChI | InChI=1S/C15H30O10/c1-20-15-14(24-9-5-19)13(23-8-4-18)12(22-7-3-17)11(25-15)10-21-6-2-16/h11-19H,2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UITSPQLTFPTHJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | α-Hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) ether with methyl β-D-glucopyranoside (4:1) | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 136.3 Ų | RDKit |
| LogP | -2.500899999999995 | RDKit |
| -2.5009 | RDKit | |
| Molar Refractivity | 84.05220000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 370.18389715999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
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40
20
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| 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 = 370.40 g/mol. Edit any field — others recompute live.
