1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine

Catalog Number	ACM923615
CAS	923-61-5
Structure
Synonyms	L-β,γ-Dipalmitoyl-α-cephalin
IUPAC Name	[(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Molecular Weight	691.97
Molecular Formula	C37H74NO8P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
InChI Key	SLKDGVPOSSLUAI-PGUFJCEWSA-N
Boiling Point	723.6±70.0 °C
Melting Point	195.0-199.0 °C
Flash Point	391.4 °C
Purity	98%+
Density	1.010±0.06 g/cm³
Solubility	Slightly soluble in methanol
Appearance	Solid
Storage	-20 °C
Complexity	754
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	691.51520532
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
Monoisotopic Mass	691.51520532
Physical State	Powder
Rotatable Bond Count	39
Storage Conditions	-20 °C
Topological Polar Surface Area	134 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number of 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine?

The CAS number is 923-61-5.

How many hydrogen bond acceptor count does 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine have?

It has 9 hydrogen bond acceptor count.

What is the molecular weight of 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine?

The molecular weight is 692.0g/mol.

Provide another name for 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine.

Another name for it is Dipalmitoyl phosphatidylethanolamine.

What is the IUPAC Name of 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine?

The IUPAC Name is [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate.

How many heavy atoms does 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine contain?

It contains 47 heavy atoms.

Provide a synonym for 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine that includes "diphosphate."

A synonym including "diphosphate" is Dipalmitoylphosphatidylethanolamine.

What is the Canonical SMILES notation for 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine?

The Canonical SMILES notation is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC.

How many rotatable bond counts does 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine have?

It has 39 rotatable bond counts.

What is the UNII number of 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine?

The UNII number is 4FWH120Z1Z.

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