Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate

Catalog Number	ACM474943334
CAS	474943-33-4
Synonyms	20:4 PA
IUPAC Name	Sodium;[(2R)-2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propyl] hydrogen phosphate
Molecular Weight	767
Molecular Formula	C43H68NaO8P
Canonical SMILES	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCC=CCC=CCC=CCC=CCCCCC.[Na+]
InChI	InChI=1S/C43H69O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h11-14,17-20,23-26,29-32,41H,3-10,15-16,21-22,27-28,33-40H2,1-2H3,(H2,46,47,48);/q;+1/p-1/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-;/t41-;/m1./s1
InChI Key	FDDKKAHLSUVCLC-QHEFBXHFSA-M
Purity	99%+
Complexity	1170
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	766.4549504
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[Na+]
Monoisotopic Mass	766.4549504
Physical State	Liquid
Rotatable Bond Count	36
Storage Conditions	-20 °C
Topological Polar Surface Area	122 Ų

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 IUPAC name of Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate?

Sodium;[(2R)-2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propyl] hydrogen phosphate

What is the molecular formula of Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate?

C43H68NaO8P

What is the molecular weight of Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate?

767.0g/mol

What is the exact mass of Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate?

766.45495040

How many heavy atoms are present in Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate?

53

How many defined bond stereocenters are present in Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate?

8

How many rotatable bonds are present in Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate?

36

What is the Canonical SMILES of Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate?

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCC=CCC=CCC=CCC=CCCCCC.[Na+]

What is the InChIKey of Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate?

FDDKKAHLSUVCLC-QHEFBXHFSA-M

What is another name given to Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate in the Depositor-Supplied Synonyms?

Sodium (R)-2,3-bis((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy)propyl hydrogenphosphate

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Sodium (2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl hydrogen phosphate (474943-33-4)

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