1,2-di-O-dodecyl-3-O-(glucopyranosyl)glycerol
Basic information
- CAS
147514-22-5- Standard SMILES
CCCCCCCCCCCC(=O)OCC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC- InChIKey
BIOJTMVLNXQLNJ-BBEDEGKMSA-N- Molecular formula
- C33H62O10
- Average molar mass
- 618.8 g/mol
- Monoisotopic mass
- 618.43429817
Overview
structure given in first source; RN given refers to the (beta-D-gluco)-isomer with no isomeric designation specified for locant in position 1
Names & identifiers
- Preferred name
- 1,2-di-O-dodecyl-3-O-(glucopyranosyl)glycerol
- IUPAC
- [2-dodecanoyloxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] dodecanoate
- English name
- 1,2-di-O-dodecyl-3-O-(glucopyranosyl)glycerol
- Molecular formula
- C33H62O10
- Molecular weight
- 618.84
Names & synonyms
Ddglcg147514-22-51,2-Di-O-dodecyl-3-O-(glucopyranosyl)glycerolDidodecyl-beta-D-glucopyranosyl glycerol1,2-Di-O-dodecyl-3-O-(beta-D-glucopyranosyl)glycerolRefChem:71788CHEMBL388740DTXSID909331363-(Hexopyranosyloxy)propane-1,2-diyl didodecanoate3-(beta-D-glucopyranosyloxy)propane-1,2-diyl didodecanoatebeta-D-Glucopyranoside, 2,3-bis((1-oxododecyl)oxy)propylDodecanoic acid, 2-(b-D-glucopyranosyloxy)-1-[[(1-oxododecyl)oxy]methyl]ethyl ester
Show more names
β-D-Glucopyranoside, 2,3-bis[(1-oxododecyl)oxy]propyl
[2-dodecanoyloxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propyl] dodecanoate
Database identifiers
- CAS
147514-22-5
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 29
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 691
Physicochemical properties
- Boiling point
- 724.6 · 724.6±60.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 12.88 · 12.88±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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