CAS 998-07-2 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine

What is the CAS number for 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine?

The CAS number is 998-07-2.

What is the molecular formula of 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine?

The molecular formula is C33H66NO8P.

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

The molecular weight is 635.9 g/mol.

How many heavy atoms are present in 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine?

There are 43 heavy atoms.

How many rotatable bonds are there in 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine?

There are 35 rotatable bonds.

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

The Canonical SMILES is CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC.

What is the InChIKey for 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine?

The InChIKey is NEZDNQCXEZDCBI-WJOKGBTCSA-N.

How many hydrogen bond acceptors are there in 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine?

There are 9 hydrogen bond acceptors.

What is the IUPAC name of 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine?

The IUPAC name is [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate.

What are some of the depositor-supplied synonyms for 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine?

Some synonyms include Dimyristoyl cephalin, PE(14:0/14:0), and Dimyristoyl phosphatidylethanolamine.

Catalog Number	ACM998072-2
CAS	998-07-2
Structure
Synonyms	Dimyristoyl-L-α-phosphatidylethanolamine
IUPAC Name	[(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
Molecular Weight	635.85
Molecular Formula	C33H66NO8P
Canonical SMILES	CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChI	InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
InChI Key	NEZDNQCXEZDCBI-WJOKGBTCSA-N
Boiling Point	685.6±65.0 °C
Melting Point	191.0-195.0 °C
Purity	98%+
Density	1.027±0.06 g/cm³
Appearance	Solid
Storage	Keep in dark place, inert atmosphere, store in freezer, under -20 °C
Complexity	694
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	635.45260506
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
Monoisotopic Mass	635.45260506
Physical State	Powder
Rotatable Bond Count	35
Storage Conditions	-20 °C
Topological Polar Surface Area	134 Å²