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CONTACT US| Catalog Number | ACM121315933 |
| CAS | 121315-93-3 |
| Structure |  |
| Synonyms | 18:0 DAP |
| IUPAC Name | [3-(Dimethylamino)-2-octadecanoyloxypropyl] octadecanoate |
| Molecular Weight | 652.1 |
| Molecular Formula | C41H81NO4 |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CN(C)C)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C41H81NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38-39(37-42(3)4)46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39H,5-38H2,1-4H3 |
| InChI Key | RVBUSVJSKGVQQS-UHFFFAOYSA-N |
| Purity | 99%+ |
| Complexity | 638 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Exact Mass | 651.61656007 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Monoisotopic Mass | 651.61656007 |
| Physical State | Powder or chloroform |
| Rotatable Bond Count | 39 |
| Storage Conditions | -20 °C |
| Topological Polar Surface Area | 55.8 Ų |
What is the IUPAC name of 1,2-Distearoyl-3-dimethylammonium-propane?
The IUPAC name of 1,2-Distearoyl-3-dimethylammonium-propane is [3-(dimethylamino)-2-octadecanoyloxypropyl] octadecanoate.
What is the molecular formula of 1,2-Distearoyl-3-dimethylammonium-propane?
The molecular formula of 1,2-Distearoyl-3-dimethylammonium-propane is C41H81NO4.
What is the exact mass of 1,2-Distearoyl-3-dimethylammonium-propane?
The exact mass of 1,2-Distearoyl-3-dimethylammonium-propane is 651.61656007.
How many heavy atoms are present in 1,2-Distearoyl-3-dimethylammonium-propane?
There are 46 heavy atoms present in 1,2-Distearoyl-3-dimethylammonium-propane.
What is the Computed Properties Rotatable Bond Count of 1,2-Distearoyl-3-dimethylammonium-propane?
The Computed Properties Rotatable Bond Count of 1,2-Distearoyl-3-dimethylammonium-propane is 39.
What is the Canonical SMILES representation of 1,2-Distearoyl-3-dimethylammonium-propane?
The Canonical SMILES representation of 1,2-Distearoyl-3-dimethylammonium-propane is CCCCCCCCCCCCCCCCC(=O)OCC(CN(C)C)OC(=O)CCCCCCCCCCCCCCCCC.
Are there any hydrogen bond donor atoms in 1,2-Distearoyl-3-dimethylammonium-propane?
No, there are no hydrogen bond donor atoms in 1,2-Distearoyl-3-dimethylammonium-propane.
How many hydrogen bond acceptor atoms are present in 1,2-Distearoyl-3-dimethylammonium-propane?
There are 5 hydrogen bond acceptor atoms present in 1,2-Distearoyl-3-dimethylammonium-propane.
What is the Computed Properties Topological Polar Surface Area of 1,2-Distearoyl-3-dimethylammonium-propane?
The Computed Properties Topological Polar Surface Area of 1,2-Distearoyl-3-dimethylammonium-propane is 55.8.
What are some Depositor-Supplied Synonyms for 1,2-Distearoyl-3-dimethylammonium-propane?
Some Depositor-Supplied Synonyms for 1,2-Distearoyl-3-dimethylammonium-propane include 18:0 DAP, 3-(Dimethylamino)propane-1,2-diyl distearate, and HY-143700.
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