1-Tridecanoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM20559175
CAS	20559-17-5
Synonyms	13:0 LYSO PC
IUPAC Name	[(2R)-2-Hydroxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	453.5
Molecular Formula	C21H44NO7P
Canonical SMILES	CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C21H44NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22(2,3)4/h20,23H,5-19H2,1-4H3/t20-/m1/s1
InChI Key	WNRCJJWBAXNAPE-HXUWFJFHSA-N
Purity	99%+
Complexity	474
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	453.28553974
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	453.28553974
Physical State	Powder
Rotatable Bond Count	21
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number of 1-Tridecanoyl-sn-glycero-3-phosphocholine?

The CAS number of 1-Tridecanoyl-sn-glycero-3-phosphocholine is 20559-17-5.

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

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

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

There are 30 heavy atoms present in 1-Tridecanoyl-sn-glycero-3-phosphocholine.

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

The XLogP3 value of 1-Tridecanoyl-sn-glycero-3-phosphocholine is 3.9.

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

The molecular weight of 1-Tridecanoyl-sn-glycero-3-phosphocholine is 453.5g/mol.

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

The IUPAC name of 1-Tridecanoyl-sn-glycero-3-phosphocholine is [(2R)-2-hydroxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

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

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

What is the mono-isotopic mass of 1-Tridecanoyl-sn-glycero-3-phosphocholine?

The mono-isotopic mass of 1-Tridecanoyl-sn-glycero-3-phosphocholine is 453.28553974.

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

The InChIKey of 1-Tridecanoyl-sn-glycero-3-phosphocholine is WNRCJJWBAXNAPE-HXUWFJFHSA-N.

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

The molecular formula of 1-Tridecanoyl-sn-glycero-3-phosphocholine is C21H44NO7P.

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