Colfosceril palmitate

Catalog Number	ACM63898-2
CAS	63-89-8
Structure
Synonyms	1,2-Bis(hexadecanoyl)-sn-glycero-3-phosphocholine
IUPAC Name	[(2R)-2,3-Di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	734
Molecular Formula	C40H80NO8P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1
InChI Key	KILNVBDSWZSGLL-KXQOOQHDSA-N
Melting Point	229-229.5 °C
Purity	99%+
Complexity	826
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	733.56215551
Heavy Atom Count	50
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Monoisotopic Mass	733.56215551
Physical State	Solid
Rotatable Bond Count	40
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number for Colfosceril palmitate?

The CAS number for Colfosceril palmitate is 63-89-8.

How many hydrogen bond acceptors are present in Colfosceril palmitate?

There are 8 hydrogen bond acceptors in Colfosceril palmitate.

Is there a defined atom stereocenter count in Colfosceril palmitate?

Yes, there is 1 defined atom stereocenter in Colfosceril palmitate.

What is the heavy atom count in Colfosceril palmitate?

The heavy atom count in Colfosceril palmitate is 50.

What is the Canonical SMILES representation of Colfosceril palmitate?

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

What is the IUPAC name of Colfosceril palmitate?

The IUPAC name is [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate.

Are there any rotatable bonds in Colfosceril palmitate?

Yes, there are 40 rotatable bonds in Colfosceril palmitate.

What is the topological polar surface area of Colfosceril palmitate?

The topological polar surface area is 111.

Provide one other name or synonym for Colfosceril palmitate.

One synonym for Colfosceril palmitate is 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine.

Can you find the molecular formula for Colfosceril palmitate?

The molecular formula for Colfosceril palmitate is C40H80NO8P.

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