CAS 99296-81-8 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine

What is the CAS number for 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine?

The CAS number for 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine is 99296-81-8.

What is the molecular formula of 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine?

The molecular formula of 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine is C52H80NO8P.

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

The molecular weight of 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine is 878.2g/mol.

How many hydrogen bond acceptors does 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine have?

1,2-Docosahexanoyl-sn-glycero-3-phosphocholine has 8 hydrogen bond acceptors.

How many rotatable bonds does 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine have?

1,2-Docosahexanoyl-sn-glycero-3-phosphocholine has 40 rotatable bonds.

What is the canonical SMILES representation of 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine?

The canonical SMILES representation of 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine is CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC.

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

The InChIKey of 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine is XLKQWAMTMYIQMG-SVUPRYTISA-N.

How many defined bond stereocenters does 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine have?

1,2-Docosahexanoyl-sn-glycero-3-phosphocholine has 12 defined bond stereocenters.

What is the exact mass of 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine?

The exact mass of 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine is 877.56215551.

What are some of the other names or synonyms for 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine?

Some other names or synonyms for 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine include DHAPC, PC(22:6/22:6), 1,2-Didocosahexaenoyl-sn-glycero-3-phosphocholine, and more.

Catalog Number	ACM99296818-2
CAS	99296-81-8
Synonyms	22:6 PC (Cis)
IUPAC Name	[(2R)-2,3-Bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	878.2
Molecular Formula	C52H80NO8P
Canonical SMILES	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
InChI	InChI=1S/C52H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,50H,6-7,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1
InChI Key	XLKQWAMTMYIQMG-SVUPRYTISA-N
Purity	99%+
Complexity	1540
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	877.56215551
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Monoisotopic Mass	877.56215551
Physical State	Liquid
Rotatable Bond Count	40
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Å²