Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate

Catalog Number	ACM108321068-2
CAS	108321-06-8
Structure
Synonyms	12:0 PA
IUPAC Name	Sodium;[(2R)-2,3-di(dodecanoyloxy)propyl] hydrogen phosphate
Molecular Weight	558.7
Molecular Formula	C27H52NaO8P
Canonical SMILES	CCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCC.[Na+]
InChI	InChI=1S/C27H53O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2;/h25H,3-24H2,1-2H3,(H2,30,31,32);/q;+1/p-1/t25-;/m1./s1
InChI Key	CIOHBYXGWWPOIS-VQIWEWKSSA-M
Purity	99%+
Complexity	591
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	558.32974989
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCCCCCC.[Na+]
Monoisotopic Mass	558.32974989
Physical State	Powder
Rotatable Bond Count	28
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(dodecanoyloxy)propyl hydrogen phosphate with CID 46891858?

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

What is the molecular formula of Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate?

The molecular formula is C27H52NaO8P.

How many heavy atoms are present in Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate?

There are 37 heavy atoms present.

What is the exact mass of Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate?

The exact mass is 558.32974989 g/mol.

How many hydrogen bond acceptors are there in Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate?

There are 8 hydrogen bond acceptors.

What is the Canonical SMILES representation of Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate?

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

Is Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate chiral?

Yes, Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate has 1 defined atom stereocenter, making it chiral.

What is the CAS number of Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate?

The CAS number is 108321-06-8.

What is the monoistopic mass of Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate?

The monoistopic mass is 558.32974989 g/mol.

How many rotatable bonds are present in Sodium (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate?

There are 28 rotatable bonds present.

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