1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt

Catalog Number	ACM154804543
CAS	154804-54-3
Structure
Synonyms	17:0 PA
IUPAC Name	Sodium;[(2R)-2,3-di(heptadecanoyloxy)propyl] hydrogen phosphate
Molecular Weight	698.9
Molecular Formula	C37H72NaO8P
Canonical SMILES	CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCC.[Na+]
InChI	InChI=1S/C37H73O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35H,3-34H2,1-2H3,(H2,40,41,42);/q;+1/p-1/t35-;/m1./s1
InChI Key	IAELRFKIVVBNTO-RUQJKXHKSA-M
Purity	99%+
Complexity	739
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	698.48625053
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCC.[Na+]
Monoisotopic Mass	698.48625053
Physical State	Powder
Rotatable Bond Count	38
Storage Conditions	-20 °C
Topological Polar Surface Area	122 Ų
WGK Germany	3

Knowledge & Learning Case Study Q&A

Deciphering Phosphatidic Acid: From Cellular Membranes to Vaccine Efficacy

Phosphatidic acid (PA) is a crucial phospholipid in cellular membranes, playing a vital role in various cellular processes such as membrane biogenesis, signal transduction, and lipid metabolism. Structurally, PA consists of a glycerol backbone linked to two fatty acids at the sn-1 and sn-2 positions, and a phosphate group at the sn-3 position. Get more information on:

• Understanding Phosphatidic Acid
• Types of Phosphatidic Acid Molecules
• Quick Selection List for Phosphatidic Acid
• Action Mechanism of Phosphatidic Acid
• Application of Phosphatidic Acid in Vaccines

What is the molecular formula of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The molecular formula is C37H72NaO8P.

What is the IUPAC name of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The IUPAC name is sodium;[(2R)-2,3-di(heptadecanoyloxy)propyl] hydrogen phosphate.

What is the exact mass of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The exact mass is 698.48625053.

How many heavy atoms are present in the structure?

There are 47 heavy atoms.

What is the topological polar surface area of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The topological polar surface area is 122.

How many rotatable bonds are present in the molecule?

There are 38 rotatable bonds.

What is the CAS number of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The CAS number is 154804-54-3.

How many hydrogen bond acceptors are in the structure?

There are 8 hydrogen bond acceptors.

How many hydrogen bond donors are in the molecule?

There is 1 hydrogen bond donor.

What is the Canonical SMILES representation of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The Canonical SMILES is CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCC.[Na+].

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