Basic information
- CAS
121043-30-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O[13C](=O)CCCCCCC- InChIKey
ROSIALNPQYBSCH-RBMVYKJLSA-N- Molecular formula
- C47H90O6
- Average molar mass
- 752.2 g/mol
- Monoisotopic mass
- 751.67709542
Overview
Rn given refers to the (13C)-isomer
Names & identifiers
- Preferred name
- 1,3-Distearyl-2-octanoylglycerol
- IUPAC
- (3-octadecanoyloxy-2-(113C)octanoyloxypropyl) octadecanoate
- English name
- 2-Octanoyl-1,3-Distearin-octanoic-1-13C
- Molecular formula
- "NOFORMULAISAVAILABLE"
- Molecular weight
- 0
Names & synonyms
121043-30-91,3-Distearyl-2-octanoylglycerolRefChem:728292-Octanoyl-1,3-distearin (Octanoic-1-13c,99%)2-Octanoyl-1,3-distearin-octanoic-1-13cGlyceryl 1,2-dioctadecanoate-3-octanoate-1-13CGlyceryl 2-Octanoyl-2-((1-Oxooctyl-1-13C)oxy)-1,3-propanediyl octadecanoateDTXSID00923644(3-octadecanoyloxy-2-(113C)octanoyloxypropyl) octadecanoate2-OCTANOYL-1,3-DISTEARINBP-41104
Show more names
(Mixed Triglyceride)2-0ctanoyl-1,3-Distearin-octanoic-1-13C2-OCTANOYL-1,3-DISTEARIN (OCTANOIC-1-13C,99%)MICROBIOLOGICAL/PYROGEN TESTED
2-[(1-~13~C)Octanoyloxy]propane-1,3-diyl dioctadecanoateGlyceryl 1,3-dioctadecanoate-2-octanoate-1-13C, 99 atom % 13COctadecanoic acid, 2-((1-oxooctyl-1-13C)oxy)-1,3-propanediyl ester
Database identifiers
- CAS
121043-30-9
Properties
Computed structural properties
- XLogP
- 19.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 46
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 733
Physicochemical properties
- CAS Number Unlabeled
- 99431 · 99431-66-0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Octanoyl-1,3-distearin (Octanoic-1-13c,99%) is used to study pancreatic lipase activity and intestinal fat malabsorption.
Suppliers10 total
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
时美拓特种气体（上海）有限公司18557025385 15757158480 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
上海纳孚生物科技有限公司021-58952328 13125124762 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
上海汉辰新材料科技有限公司13564554711 · [email protected]
上海化工研究院有限公司02152559526 13916287646 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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