1,2-Diundecanoyl-sn-glycero-3-phosphocholine

• CAS: 27869-47-2
• Catalog Number: ACM27869472
• Category: Other Products
• Molecular Weight: 593.8
• Molecular Formula: C30H60NO8P
• Synonyms: 11:0 PC
• IUPAC Name: 2,3-Di(undecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
• Canonical SMILES: CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC
• InChI: InChI=1S/C30H60NO8P/c1-6-8-10-12-14-16-18-20-22-29(32)36-26-28(27-38-40(34,35)37-25-24-31(3,4)5)39-30(33)23-21-19-17-15-13-11-9-7-2/h28H,6-27H2,1-5H3
• InChI Key: XCCDCYFQYUARAY-UHFFFAOYSA-N
• Complexity: 675
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 593.40565487
• Heavy Atom Count: 40
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 593.40565487
• Physical State: Powder
• Rotatable Bond Count: 30
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 111 Ų

Custom Q&A

What is the molecular formula of 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

The molecular formula is C30H60NO8P.

What is the molecular weight of 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

The molecular weight is 593.8g/mol.

What is the canonical SMILES notation for 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

The canonical SMILES is CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC.

How many heavy atoms are present in 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

There are 40 heavy atoms.

What is the computed properties complexity of 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

The complexity is 675.

How many rotatable bonds are present in the chemical structure of 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

There are 30 rotatable bonds.

What are some depositor-supplied synonyms for 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

Some synonyms include PC(11:0/11:0), 11:0 PC, and LMGP01010407.

What is the InChIKey for 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

The InChIKey is XCCDCYFQYUARAY-MUUNZHRXSA-N.

What is the exact mass of 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

The exact mass is 593.40565487.

How many hydrogen bond acceptor counts does 1,2-Diundecanoyl-sn-glycero-3-phosphocholine have?

There are 8 hydrogen bond acceptor counts.