CAS 50930-23-9 1-Heptadecanoyl-sn-glycero-3-phosphocholine

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

The molecular formula is C25H52NO7P.

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

The molecular weight is 509.7g/mol.

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

The Canonical SMILES representation is CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O.

How many hydrogen bond acceptors are in the structure of 1-Heptadecanoyl-sn-glycero-3-phosphocholine?

There are 7 hydrogen bond acceptors.

What is the InChIKey for 1-Heptadecanoyl-sn-glycero-3-phosphocholine?

The InChIKey is SRRQPVVYXBTRQK-XMMPIXPASA-N.

How many rotatable bonds are there in the structure of 1-Heptadecanoyl-sn-glycero-3-phosphocholine?

There are 25 rotatable bonds.

What is the CAS number for 1-Heptadecanoyl-sn-glycero-3-phosphocholine?

The CAS number is 50930-23-9.

What are some of the depositor-supplied synonyms for 1-Heptadecanoyl-sn-glycero-3-phosphocholine?

Some synonyms include 1-margaroyl-GPC, LyPC 17:0/0:0, and LPC(17:0).

How many heavy atoms are present in the structure of 1-Heptadecanoyl-sn-glycero-3-phosphocholine?

There are 34 heavy atoms.

Catalog Number	ACM50930239
CAS	50930-23-9
Structure
Synonyms	17:0 LYSO PC
IUPAC Name	[(2R)-3-Heptadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	509.7
Molecular Formula	C25H52NO7P
Canonical SMILES	CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h24,27H,5-23H2,1-4H3/t24-/m1/s1
InChI Key	SRRQPVVYXBTRQK-XMMPIXPASA-N
Purity	98%+
Complexity	532
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	509.34814
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	509.34814
Physical State	Powder
Rotatable Bond Count	25
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Å²