1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt

Catalog Number	ACM143077661
CAS	143077-66-1
Structure
Synonyms	16:0 LYSO PS
IUPAC Name	Sodium;(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoate
Molecular Weight	519.5
Molecular Formula	C22H43NNaO9P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)[O-])N)O.[Na+]
InChI	InChI=1S/C22H44NO9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27;/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29);/q;+1/p-1/t19-,20+;/m1./s1
InChI Key	MNVYLWFGOUZBHG-FDOHDBATSA-M
Purity	99%
Complexity	569
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	519.25731323
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)[O-])N)O.[Na+]
Monoisotopic Mass	519.25731323
Physical State	Powder
Rotatable Bond Count	24
Storage Conditions	-20 °C
Topological Polar Surface Area	168 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

The IUPAC name of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt is sodium;(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoate.

What is the molecular formula of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

The molecular formula of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt is C40H75NNaO10P.

What is the molecular weight of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

The molecular weight of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt is 784.0g/mol.

What is the exact mass of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

The exact mass of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt is 783.50262887.

How many heavy atoms are present in 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

There are 53 heavy atoms present in 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt.

How many rotatable bonds are present in 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

There are 41 rotatable bonds present in 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt.

How many hydrogen bond acceptor counts are there in 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

There are 11 hydrogen bond acceptor counts in 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt.

How many hydrogen bond donor counts are present in 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

There are 2 hydrogen bond donor counts present in 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt.

What is the canonical SMILES of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

The canonical SMILES of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)[O-])N)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+].

What is the InChIKey of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt?

The InChIKey of 1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt is RQYKXRYGZHMUSU-JEAFVVATSA-M.

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1-Palmitoyl-sn-glycero-3-phospho-l-serine sodium salt (143077-66-1)

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