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CONTACT US| Catalog Number | ACM17688298-1 |
| CAS | 17688-29-8 |
| Synonyms | L-a-Lecithin-diarachidonoyl |
| IUPAC Name | [(2R)-2-[(5Z,8Z,11Z,14E)-Icosa-5,8,11,14-tetraenoyl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Molecular Weight | 830.1 |
| Molecular Formula | C48H80NO8P |
| Canonical SMILES | CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC |
| InChI | InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,46H,6-13,18-19,24-25,30-31,36-45H2,1-5H3/b16-14-,17-15+,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1 |
| InChI Key | LZLVZIFMYXDKCN-HLKGGLNDSA-N |
| Purity | 99%+ |
| Complexity | 1300 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Exact Mass | 829.56215551 |
| Heavy Atom Count | 58 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isomeric SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C/CCCCC |
| Monoisotopic Mass | 829.56215551 |
| Physical State | Liquid |
| Rotatable Bond Count | 40 |
| Storage Conditions | -20 °C |
| Topological Polar Surface Area | 111 Ų |
What is the CAS number for 1,2-Diradyl-3-phosphatidylcholine?
The CAS number is 17688-29-8.
What is the Canonical SMILES representation for 1,2-Diradyl-3-phosphatidylcholine?
The Canonical SMILES is CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC.
How many Heavy Atoms are present in the molecular formula of 1,2-Diradyl-3-phosphatidylcholine?
There are 58 Heavy Atoms in the molecular formula.
What is the Computed Properties Rotatable Bond Count for 1,2-Diradyl-3-phosphatidylcholine?
The Rotatable Bond Count is 40.
What is the InChIKey for 1,2-Diradyl-3-phosphatidylcholine?
The InChIKey is LZLVZIFMYXDKCN-HLKGGLNDSA-N.
What are some Depositor-Supplied Synonyms for 1,2-Diradyl-3-phosphatidylcholine?
Some synonyms include [(2R)-2-[(5Z,8Z,11Z,14E)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate and DAPC.
What is the Molecular Weight of 1,2-Diradyl-3-phosphatidylcholine?
The Molecular Weight is 830.1g/mol.
What is the IUPAC Name for 1,2-Diradyl-3-phosphatidylcholine?
The IUPAC Name is [(2R)-2-[(5Z,8Z,11Z,14E)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.
How many Covalently-Bonded Units are present in the Computed Properties of 1,2-Diradyl-3-phosphatidylcholine?
There is 1 Covalently-Bonded Unit.
What is the Monoisotopic Mass of 1,2-Diradyl-3-phosphatidylcholine?
The Monoisotopic Mass is 829.56215551.
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