2-(Hydroxymethyl)-2-(((1-oxodocosyl)oxy)methyl)propane-1,3-diyl didocosanoate
Basic information
- CAS
45326-01-0- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC- InChIKey
VKOJUMXWQCTCFG-UHFFFAOYSA-N- Molecular formula
- C71H138O7
- Average molar mass
- 1,103.8 g/mol
- Monoisotopic mass
- 1,103.04425674
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-2-(((1-oxodocosyl)oxy)methyl)propane-1,3-diyl didocosanoate
- IUPAC
- [2,2-bis(docosanoyloxymethyl)-3-hydroxypropyl] docosanoate
- English name
- 2-(hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]propane-1,3-diyl didocosanoate
- Molecular formula
- C71H138O7
- Molecular weight
- 1103.85
Names & synonyms
45326-01-0EINECS 256-237-72-(Hydroxymethyl)-2-(((1-oxodocosyl)oxy)methyl)propane-1,3-diyl didocosanoateDTXSID601964782-(HYDROXYMETHYL)-2-[[(1-OXODOCOSYL)OXY]METHYL]PROPANE-1,3-DIYL DIDOCOSANOATERefChem:461051DTXCID70118969256-237-7pentaerythritol tribehenateECS5954MJASCHEMBL11063650VKOJUMXWQCTCFG-UHFFFAOYSA-N
Show more names
Docosanoic acid, 2-(hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester (9CI)
NS000315222-[(Docosanoyloxy)methyl]-2-(hydroxymethyl)propane-1,3-diyl didocosanoateDocosanoic acid, 2-(hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester
Database identifiers
- CAS
45326-01-0- PubChem CID
- 6452029
- DTXSID
DTXSID60196478- UNII
- ECS5954MJA
Properties
Computed structural properties
- XLogP
- 31.1
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 70
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 1,060
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
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Related reactions
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Compound notes
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