1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt

Catalog Number	ACM105405503
CAS	105405-50-3
Structure
Synonyms	14:0 PS
IUPAC Name	Sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate
Molecular Weight	701.8
Molecular Formula	C34H65NNaO10P
Canonical SMILES	CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCC.[Na+]
InChI	InChI=1S/C34H66NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2;/h30-31H,3-29,35H2,1-2H3,(H,38,39)(H,40,41);/q;+1/p-1/t30-,31+;/m1./s1
InChI Key	QSHQBWBFNCFHLO-MFABWLECSA-M
Purity	98%+
Complexity	799
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	701.42437855
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCC.[Na+]
Monoisotopic Mass	701.42437855
Physical State	Powder
Rotatable Bond Count	35
Storage Conditions	-20 °C
Topological Polar Surface Area	179 Ų

Knowledge & Learning Case Study Q&A

What is the molecular weight of 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

The molecular weight is 701.8g/mol.

What is the IUPAC name of 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

The IUPAC name is sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate.

How many hydrogen bond acceptor counts are there in 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

There are 10 hydrogen bond acceptor counts.

What is the CAS number of 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

The CAS number is 105405-50-3.

How many covalently-bonded unit counts are there in 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

There are 2 covalently-bonded unit counts.

What is the topological polar surface area of 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

The topological polar surface area is 179.

What is the canonical SMILES of 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

The canonical SMILES is CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCC.[Na+].

What is the Monoisotopic Mass of 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

The Monoisotopic Mass is 701.42437855.

How many rotatable bond counts are there in 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

There are 35 rotatable bond counts.

What is the InChIKey of 1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt?

The InChIKey is QSHQBWBFNCFHLO-MFABWLECSA-M.

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