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CONTACT US| Catalog Number | ACM51779954-2 |
| CAS | 51779-95-4 |
| Structure |  |
| Synonyms | 1,2-Dierucoyl-sn-glycero-3-PC |
| IUPAC Name | [(2R)-2,3-Bis[[(Z)-docos-13-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Molecular Weight | 898.3 |
| Molecular Formula | C52H100NO8P |
| Canonical SMILES | CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=CCCCCCCCC |
| InChI | InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1 |
| InChI Key | SDEURMLKLAEUAY-JFSPZUDSSA-N |
| Purity | 98%+ |
| Complexity | 1100 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Exact Mass | 897.71865615 |
| Heavy Atom Count | 62 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isomeric SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
| Monoisotopic Mass | 897.71865615 |
| Physical State | Solid |
| Rotatable Bond Count | 50 |
| Storage Conditions | -20 °C |
| Topological Polar Surface Area | 111 Ų |
What is the molecular formula of 1,2-Dierucoyl-sn-glycero-3-phosphocholine?
The molecular formula of 1,2-Dierucoyl-sn-glycero-3-phosphocholine is C52H100NO8P.
What is the molecular weight of 1,2-Dierucoyl-sn-glycero-3-phosphocholine?
The molecular weight of 1,2-Dierucoyl-sn-glycero-3-phosphocholine is 898.3 g/mol.
What is the CAS number of 1,2-Dierucoyl-sn-glycero-3-phosphocholine?
The CAS numbers of 1,2-Dierucoyl-sn-glycero-3-phosphocholine are 51779-95-4 and 76420-81-0.
How many hydrogen bond acceptors does 1,2-Dierucoyl-sn-glycero-3-phosphocholine have?
1,2-Dierucoyl-sn-glycero-3-phosphocholine has 8 hydrogen bond acceptors.
What is the InChIKey of 1,2-Dierucoyl-sn-glycero-3-phosphocholine?
The InChIKey of 1,2-Dierucoyl-sn-glycero-3-phosphocholine is SDEURMLKLAEUAY-JFSPZUDSSA-N.
How many heavy atoms are present in 1,2-Dierucoyl-sn-glycero-3-phosphocholine?
There are 62 heavy atoms in 1,2-Dierucoyl-sn-glycero-3-phosphocholine.
What is the canonical SMILES representation of 1,2-Dierucoyl-sn-glycero-3-phosphocholine?
The canonical SMILES representation of 1,2-Dierucoyl-sn-glycero-3-phosphocholine is CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=CCCCCCCCC.
How many rotatable bonds are present in 1,2-Dierucoyl-sn-glycero-3-phosphocholine?
There are 50 rotatable bonds in 1,2-Dierucoyl-sn-glycero-3-phosphocholine.
What is the computed properties complexity of 1,2-Dierucoyl-sn-glycero-3-phosphocholine?
The computed properties complexity of 1,2-Dierucoyl-sn-glycero-3-phosphocholine is 1100.
What are some of the depositor-supplied synonyms for 1,2-Dierucoyl-sn-glycero-3-phosphocholine?
Some of the depositor-supplied synonyms for 1,2-Dierucoyl-sn-glycero-3-phosphocholine are L-Dierucoyl lecithin, Dierucoyllecithin, and 1,2-Di(13-Cis-docosenoyl)-sn-glycero-3-phosphocholine.
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