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

Catalog Number	ACM61596530-2
CAS	61596-53-0
Structure
Synonyms	20:0 PC
IUPAC Name	[(2R)-2,3-Di(icosanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	846.3
Molecular Formula	C48H96NO8P
Canonical SMILES	CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C48H96NO8P/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/h46H,6-45H2,1-5H3/t46-/m1/s1
InChI Key	YKIOPDIXYAUOFN-YACUFSJGSA-N
Purity	98%+
Complexity	950
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	845.68735602
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
Monoisotopic Mass	845.68735602
Physical State	Solid
Rotatable Bond Count	48
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the Canonical SMILES representation of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES representation of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC.

What is the Computed Properties Heavy Atom Count of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine?

The Computed Properties Heavy Atom Count of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine is 58.

How many Rotatable Bonds does 1,2-Diarachidoyl-sn-glycero-3-phosphocholine have?

1,2-Diarachidoyl-sn-glycero-3-phosphocholine has 48 Rotatable Bonds.

What is the Topological Polar Surface Area of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine?

The Topological Polar Surface Area of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine is 111.

What is the IUPAC Name of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine is [(2R)-2,3-di(icosanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the Molecular Formula of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine?

The Molecular Formula of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine is C48H96NO8P.

What is the Exact Mass of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine?

The Exact Mass of 1,2-Diarachidoyl-sn-glycero-3-phosphocholine is 845.68735602.

What is the UNII (Unique Ingredient Identifier) for 1,2-Diarachidoyl-sn-glycero-3-phosphocholine?

The UNII for 1,2-Diarachidoyl-sn-glycero-3-phosphocholine is HE0P2D9ZLS.

What are some other synonyms or names for 1,2-Diarachidoyl-sn-glycero-3-phosphocholine?

Some other synonyms for 1,2-Diarachidoyl-sn-glycero-3-phosphocholine include 1,2-dieicosanoyl-sn-glycero-3-phosphocholine, L-alpha-Diarachidinoyl lecithin, and PC(20:0/20:0).

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