Dinervonoyllecithin

Catalog Number	ACM51779965
CAS	51779-96-5
Synonyms	24:1 (Cis) PC
IUPAC Name	[(2R)-2,3-Bis[[(Z)-tetracos-15-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	954.4
Molecular Formula	C56H108NO8P
Canonical SMILES	CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC=CCCCCCCCC
InChI	InChI=1S/C56H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,54H,6-19,24-53H2,1-5H3/b22-20-,23-21-/t54-/m1/s1
InChI Key	REWNAIYQZZOESC-CGKZWXATSA-N
Purity	99%+
Complexity	1160
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	953.7812564
Heavy Atom Count	66
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
Monoisotopic Mass	953.7812564
Physical State	Liquid
Rotatable Bond Count	54
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number of Dinervonoyllecithin?

The CAS number of Dinervonoyllecithin is 51779-96-5.

What is the molecular formula of Dinervonoyllecithin?

The molecular formula of Dinervonoyllecithin is C56H108NO8P.

How many heavy atoms are present in Dinervonoyllecithin?

There are 66 heavy atoms present in Dinervonoyllecithin.

What is the canonical SMILES representation of Dinervonoyllecithin?

The canonical SMILES representation of Dinervonoyllecithin is CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC=CCCCCCCCC.

How many rotatable bonds are there in Dinervonoyllecithin?

There are 54 rotatable bonds in Dinervonoyllecithin.

What is the exact mass of Dinervonoyllecithin?

The exact mass of Dinervonoyllecithin is 953.78125640.

What is the IUPAC name of Dinervonoyllecithin?

The IUPAC name of Dinervonoyllecithin is [(2R)-2,3-bis[[(Z)-tetracos-15-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the monoisotopic mass of Dinervonoyllecithin?

The monoisotopic mass of Dinervonoyllecithin is 953.78125640.

What are some of the synonyms for Dinervonoyllecithin?

Some synonyms for Dinervonoyllecithin include L-Dinervonoyl lecithin, PC(24:1(15Z)/24:1(15Z)), and Phosphatidylcholine(48:2).

How many hydrogen bond acceptors are present in Dinervonoyllecithin?

There are 8 hydrogen bond acceptors present in Dinervonoyllecithin.

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