1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine

Catalog Number	ACM36314473-2
CAS	36314-47-3
Structure
Synonyms	L-α-Lecithin dihexadecyl ether
IUPAC Name	2,3-Bis(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Molecular Weight	706.1
Molecular Formula	C40H84NO6P
Canonical SMILES	CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC
InChI	InChI=1S/C40H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3
InChI Key	MWTIGLPPQBNUFP-UHFFFAOYSA-N
Purity	99+%
Complexity	681
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	705.6036264
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Monoisotopic Mass	705.6036264
Physical State	Powder
Rotatable Bond Count	40
Storage Conditions	-20 °C
Topological Polar Surface Area	77 Ų

Knowledge & Learning Case Study Q&A

What is the chemical formula of 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine?

The chemical formula is C40H84NO6P.

What is the molecular weight of 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine?

The molecular weight is 706.1g/mol.

What is the IUPAC name of 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine?

The IUPAC name is 2,3-dihexadecoxypropyl 2-(trimethylazaniumyl)ethyl phosphate.

How many hydrogen bond acceptor counts does 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine have?

1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine has 6 hydrogen bond acceptor counts.

What is the canonical SMILES of 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine?

CCCCCCCCCCCCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC

What is the CAS number of 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine?

The CAS numbers are 69483-37-0 and 36314-47-3.

What is the monoisotopic mass of 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine?

The monoisotopic mass is 705.60362640.

How many heavy atom counts does 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine have?

1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine has 48 heavy atom counts.

What are some depositor-supplied synonyms of 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine?

Some synonyms are NSC606171, 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine, and DTXSID10957677.

What is the InChIKey of 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine?

The InChIKey is MWTIGLPPQBNUFP-UHFFFAOYSA-N.

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