1-Heptanoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM160118490
CAS	160118-49-0
Synonyms	07:0 LYSO PC
IUPAC Name	[(2R)-3-Heptanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	369.39
Molecular Formula	C15H32NO7P
Canonical SMILES	CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C15H32NO7P/c1-5-6-7-8-9-15(18)21-12-14(17)13-23-24(19,20)22-11-10-16(2,3)4/h14,17H,5-13H2,1-4H3/t14-/m1/s1
InChI Key	RGIOGDXWJBHLCU-CQSZACIVSA-N
Purity	99%+
Complexity	390
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	369.19163936
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	369.19163936
Physical State	Liquid
Rotatable Bond Count	15
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What are some other names and synonyms for 1-Heptanoyl-sn-glycero-3-phosphocholine?

Some other names and synonyms for 1-Heptanoyl-sn-glycero-3-phosphocholine include [(2R)-3-heptanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, PC(7:0/0:0), CHEBI:183136.

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

The molecular formula of 1-Heptanoyl-sn-glycero-3-phosphocholine is C15H32NO7P.

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

The molecular weight of 1-Heptanoyl-sn-glycero-3-phosphocholine is 369.39 g/mol.

What is the Canonical SMILES of 1-Heptanoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES of 1-Heptanoyl-sn-glycero-3-phosphocholine is CCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O.

How many hydrogen bond acceptors are in 1-Heptanoyl-sn-glycero-3-phosphocholine?

There are 7 hydrogen bond acceptors in 1-Heptanoyl-sn-glycero-3-phosphocholine.

What is the topological polar surface area of 1-Heptanoyl-sn-glycero-3-phosphocholine?

The topological polar surface area of 1-Heptanoyl-sn-glycero-3-phosphocholine is 105.

What is the XLogP3 value of 1-Heptanoyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1-Heptanoyl-sn-glycero-3-phosphocholine is 0.7.

What is the InChIKey of 1-Heptanoyl-sn-glycero-3-phosphocholine?

The InChIKey of 1-Heptanoyl-sn-glycero-3-phosphocholine is RGIOGDXWJBHLCU-CQSZACIVSA-N.

How many heavy atoms are in 1-Heptanoyl-sn-glycero-3-phosphocholine?

There are 24 heavy atoms in 1-Heptanoyl-sn-glycero-3-phosphocholine.

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