CAS 108032-13-9 1,2-Dipalmitoyl-3-succinylglycerol

What is the CAS number of 1,2-Dipalmitoyl-3-succinylglycerol?

The CAS number is 108032-13-9.

What is the molecular formula of 1,2-Dipalmitoyl-3-succinylglycerol?

The molecular formula is C39H72O8.

How is 1,2-Dipalmitoyl-3-succinylglycerol named according to IUPAC?

It is named as 4-[(2R)-2,3-di(hexadecanoyloxy)propoxy]-4-oxobutanoic acid.

What is the molecular weight of 1,2-Dipalmitoyl-3-succinylglycerol?

The molecular weight is 669.0 g/mol.

How many defined atom stereocenters are present in 1,2-Dipalmitoyl-3-succinylglycerol?

There is 1 defined atom stereocenter.

How many hydrogen bond acceptors are present in 1,2-Dipalmitoyl-3-succinylglycerol?

There are 8 hydrogen bond acceptors.

What is the SMILES notation for 1,2-Dipalmitoyl-3-succinylglycerol?

The SMILES notation is CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(=O)O)OC(=O)CCCCCCCCCCCCCCC.

What is the monoisotopic mass of 1,2-Dipalmitoyl-3-succinylglycerol?

The monoisotopic mass is 668.52271925.

Catalog Number	ACM108032139
CAS	108032-13-9
Structure
Synonyms	Butanedioic acid, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl] ester
IUPAC Name	4-[(2R)-2,3-Di(hexadecanoyloxy)propoxy]-4-oxobutanoic acid
Molecular Weight	669
Molecular Formula	C39H72O8
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC(=O)O)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C39H72O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(42)45-33-35(34-46-38(43)32-31-36(40)41)47-39(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H,40,41)/t35-/m1/s1
InChI Key	GNENAKXIVCYCIZ-PGUFJCEWSA-N
Purity	98%+
Complexity	753
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	668.52271925
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC(=O)O)OC(=O)CCCCCCCCCCCCCCC
Monoisotopic Mass	668.52271925
Physical State	Solid
Rotatable Bond Count	39
Storage Conditions	-20 °C
Topological Polar Surface Area	116 Å²