1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine

Catalog Number	ACM77286669-1
CAS	77286-66-9
Structure
Synonyms	18:0-1:0 Diether PC
IUPAC Name	[(2R)-2-Methoxy-3-octadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	523.7
Molecular Formula	C27H58NO6P
Canonical SMILES	CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
InChI	InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3/t27-/m1/s1
InChI Key	MHFRGQHAERHWKZ-HHHXNRCGSA-N
Purity	99+%
Complexity	492
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	523.40017557
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC
Monoisotopic Mass	523.40017557
Physical State	Powder
Rotatable Bond Count	27
Storage Conditions	-20 °C
Topological Polar Surface Area	77 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine?

The molecular formula of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine is C27H58NO6P.

What is the Monoisotopic Mass of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine?

The Monoisotopic Mass of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine is 523.40017557 g/mol.

What is the Canonical SMILES of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine?

The Canonical SMILES of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC.

What is the CAS number of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine?

The CAS number of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine is 77286-66-9.

How many Heavy Atom Count are in 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine?

There are 35 Heavy Atom Count in 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine.

What is the IUPAC Name of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine is [(2R)-2-methoxy-3-octadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the XLogP3 value of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine is 7.6.

What is the Depositor-Supplied Synonym of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine?

The Depositor-Supplied Synonym of 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine is 77286-66-9.

What is the MeSH Entry Terms for 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine?

The MeSH Entry Terms for 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine include 1-octadecyl-2-methyl-sn-glycero-3-phosphocholine, edelfosine, and 2-methoxy-PAF.

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