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CONTACT US| Catalog Number | ACM127640497 |
| CAS | 127640-49-7 |
| Structure |  |
| Synonyms | Butanedioic acid, 1-[(2R)-2,3-bis[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl] ester |
| IUPAC Name | 4-[(2R)-2,3-Bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-4-oxobutanoic acid |
| Molecular Weight | 721.1 |
| Molecular Formula | C43H76O8 |
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCC(=O)O)OC(=O)CCCCCCCC=CCCCCCCCC |
| InChI | InChI=1S/C43H76O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(46)49-37-39(38-50-42(47)36-35-40(44)45)51-43(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38H2,1-2H3,(H,44,45)/b19-17-,20-18-/t39-/m1/s1 |
| InChI Key | VZGIZLLBNVAMQT-NYVOMTAGSA-N |
| Purity | 98%+ |
| Complexity | 896 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Exact Mass | 720.55401938 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isomeric SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC |
| Monoisotopic Mass | 720.55401938 |
| Physical State | Solid |
| Rotatable Bond Count | 41 |
| Storage Conditions | -20 °C |
| Topological Polar Surface Area | 116 Ų |
What is the molecular formula of 1,2-Dioleoyl-sn-glycero-3-succinate?
The molecular formula is C43H76O8.
What is the exact mass of 1,2-Dioleoyl-sn-glycero-3-succinate?
The exact mass is 720.55401938 g/mol.
How many covalently-bonded units are present in 1,2-Dioleoyl-sn-glycero-3-succinate?
There is 1 covalently-bonded unit.
What is the Canonical SMILES representation of 1,2-Dioleoyl-sn-glycero-3-succinate?
The Canonical SMILES is CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCC(=O)O)OC(=O)CCCCCCCC=CCCCCCCCC.
How many hydrogen bond acceptors are present in 1,2-Dioleoyl-sn-glycero-3-succinate?
There are 8 hydrogen bond acceptors.
What is the InChIKey of 1,2-Dioleoyl-sn-glycero-3-succinate?
The InChIKey is VZGIZLLBNVAMQT-XPWSMXQVSA-N.
How many topological polar surface area does 1,2-Dioleoyl-sn-glycero-3-succinate have?
It has 116 topological polar surface area.
What is the IUPAC name of 1,2-Dioleoyl-sn-glycero-3-succinate?
The IUPAC name is 4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-oxobutanoic acid.
How many rotatable bond counts are present in 1,2-Dioleoyl-sn-glycero-3-succinate?
There are 41 rotatable bond counts.
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