CAS 95416-27-6 1,2-Dinonadecanoyl-sn-glycero-3-phosphocholine

How many Hydrogen Bond Acceptor Counts are there in 1,2-Dinonadecanoyl-sn-glycero-3-phosphocholine?

There are 8 Hydrogen Bond Acceptor Counts.

What is the Canonical SMILES representation of 1,2-Dinonadecanoyl-sn-glycero-3-phosphocholine?

Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC

How many heavy atoms are present in the molecular formula of 1,2-Dinonadecanoyl-sn-glycero-3-phosphocholine?

There are 56 heavy atoms in the molecular formula.

What is the molecular weight of 1,2-Dinonadecanoyl-sn-glycero-3-phosphocholine?

The molecular weight is 818.2 g/mol.

What is the formal charge of 1,2-Dinonadecanoyl-sn-glycero-3-phosphocholine?

The formal charge is 0.

How many rotatable bonds are present in the structure of 1,2-Dinonadecanoyl-sn-glycero-3-phosphocholine?

There are 46 rotatable bonds.

What is the XLogP3 value of 1,2-Dinonadecanoyl-sn-glycero-3-phosphocholine?

The XLogP3 value is 16.7.

What is the InChIKey of 1,2-Dinonadecanoyl-sn-glycero-3-phosphocholine?

InChIKey: CJXPNBSAXZBLEC-USYZEHPZSA-N

What is the name of the compound with the CAS number 95416-27-6?

The compound is known as 1,2-dinonadecanoyl-sn-glycero-3-phosphocholine.

Catalog Number	ACM95416276
CAS	95416-27-6
Synonyms	19:0 PC
IUPAC Name	[(2R)-2,3-Di(nonadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	818.2
Molecular Formula	C46H92NO8P
Canonical SMILES	CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
InChI Key	CJXPNBSAXZBLEC-USYZEHPZSA-N
Purity	99%+
Complexity	919
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	817.65605589
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC
Monoisotopic Mass	817.65605589
Physical State	Powder
Rotatable Bond Count	46
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Å²