What is the chemical structure of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine?

The chemical structure of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine is C30H62NO7P.

What is the Canonical SMILES of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine?

The Canonical SMILES of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O.

The Computed Properties Rotatable Bond Count of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine is 30.

The Formal Charge of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine is 0.

The IUPAC Name of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine is [(2R)-3-docosanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

The molecular weight of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine is 579.8 g/mol.

The Monoisotopic Mass of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine is 579.42639031.

One of the Depositor-Supplied Synonyms is LysoPC 22:0.

1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine has 7 hydrogen bond acceptor count.

The InChIKey of 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine is UIINDYGXBHJQHX-GDLZYMKVSA-N.

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Name: 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine
SKU: DGS125146658
Rating: 5 (1 reviews)

Catalog	DGS125146658
CAS	125146-65-8
Synonyms	1-Docosanoyl-sn-glycero-3-phosphocholine; PC(22:0/0:0)
Molecular Weight	579.79
Molecular Formula	C30H62NO7P
Canonical SMILES	O[C@](COP([O-])(OCC[N+](C)(C)C)=O)([H])COC(CCCCCCCCCCCCCCCCCCCCC)=O
Purity	>99%
Appearance	Powder
Hygroscopic	Yes
Light Sensitive	No
Stability	1 Year
Storage Conditions	-20 °C

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