1,2-Dipalmitoyl-3-dimethylammonium-propane

Catalog Number	ACM96326748
CAS	96326-74-8
Structure
Synonyms	16:0 DAP
IUPAC Name	[3-(Dimethylamino)-2-hexadecanoyloxypropyl] hexadecanoate
Molecular Weight	596
Molecular Formula	C37H73NO4
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(CN(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C37H73NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-34-35(33-38(3)4)42-37(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35H,5-34H2,1-4H3
InChI Key	ALRIWCIIGVAXHV-UHFFFAOYSA-N
Purity	99%+
Complexity	580
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	595.55395981
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	595.55395981
Physical State	Powder
Rotatable Bond Count	35
Storage Conditions	-20 °C
Topological Polar Surface Area	55.8 Ų

Knowledge & Learning Case Study Q&A

What is the official name of 1,2-Dipalmitoyl-3-dimethylammonium-propane?

The official name of 1,2-Dipalmitoyl-3-dimethylammonium-propane is Hexadecanoic acid 1-dimethylaminomethyl-2-hexadecanoyloxy-ethyl ester.

What is the molecular formula of 1,2-Dipalmitoyl-3-dimethylammonium-propane?

The molecular formula of 1,2-Dipalmitoyl-3-dimethylammonium-propane is C37H73NO4.

What is the molecular weight of 1,2-Dipalmitoyl-3-dimethylammonium-propane?

The molecular weight of 1,2-Dipalmitoyl-3-dimethylammonium-propane is 596.0g/mol.

What is the exact mass of 1,2-Dipalmitoyl-3-dimethylammonium-propane?

The exact mass of 1,2-Dipalmitoyl-3-dimethylammonium-propane is 595.55395981.

How many hydrogen bond acceptors does 1,2-Dipalmitoyl-3-dimethylammonium-propane have?

1,2-Dipalmitoyl-3-dimethylammonium-propane has 5 hydrogen bond acceptors.

How many rotatable bond counts does 1,2-Dipalmitoyl-3-dimethylammonium-propane have?

1,2-Dipalmitoyl-3-dimethylammonium-propane has 35 rotatable bond counts.

What is the Canonical SMILES representation of 1,2-Dipalmitoyl-3-dimethylammonium-propane?

The Canonical SMILES representation of 1,2-Dipalmitoyl-3-dimethylammonium-propane is CCCCCCCCCCCCCCCC(=O)OCC(CN(C)C)OC(=O)CCCCCCCCCCCCCCC.

What is the InChIKey of 1,2-Dipalmitoyl-3-dimethylammonium-propane?

The InChIKey of 1,2-Dipalmitoyl-3-dimethylammonium-propane is ALRIWCIIGVAXHV-UHFFFAOYSA-N.

What are some other synonyms for 1,2-Dipalmitoyl-3-dimethylammonium-propane?

Some other synonyms for 1,2-Dipalmitoyl-3-dimethylammonium-propane include 16:0 DAP, BP-28229, and SCHEMBL4435412.

How many heavy atoms does 1,2-Dipalmitoyl-3-dimethylammonium-propane contain?

1,2-Dipalmitoyl-3-dimethylammonium-propane contains 42 heavy atoms.

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