1-Hexanoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM58445968-1
CAS	58445-96-8
Structure
Synonyms	PC(6:0/0:0)
IUPAC Name	[(2R)-3-Hexanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	355.36
Molecular Formula	C14H30NO7P
Canonical SMILES	CCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/t13-/m1/s1
InChI Key	WDNDPXJAUNUOFK-CYBMUJFWSA-N
Purity	99%+
Complexity	376
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	355.17598929
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	355.17598929
Physical State	Liquid
Rotatable Bond Count	14
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number for 1-Hexanoyl-sn-glycero-3-phosphocholine?

The CAS number is 58445-96-8.

How many heavy atoms are present in the chemical structure of 1-Hexanoyl-sn-glycero-3-phosphocholine?

There are 23 heavy atoms.

What is the molecular formula of 1-Hexanoyl-sn-glycero-3-phosphocholine?

The molecular formula is C14H30NO7P.

What is the molecular weight of 1-Hexanoyl-sn-glycero-3-phosphocholine?

The molecular weight is 355.36 g/mol.

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

There are 14 rotatable bonds.

What is the exact mass of 1-Hexanoyl-sn-glycero-3-phosphocholine?

The exact mass is 355.17598929.

What is the IUPAC name of 1-Hexanoyl-sn-glycero-3-phosphocholine?

The IUPAC name is [(2R)-3-hexanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

How many hydrogen bond acceptor counts are there in 1-Hexanoyl-sn-glycero-3-phosphocholine?

There are 7 hydrogen bond acceptor counts.

What is the canonical SMILES representation of 1-Hexanoyl-sn-glycero-3-phosphocholine?

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

What are some of the depositor-supplied synonyms for 1-Hexanoyl-sn-glycero-3-phosphocholine?

Some synonyms include L-ALPHA-LYSOPHOSPHATIDYLCHOLINE, CAPROYL, and LysoPC(6:0/0:0).

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