1-Palmitoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine sodium

Catalog Number	ACM384833209
CAS	384833-20-9
Synonyms	16:0-18:2 PS
IUPAC Name	Sodium;(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoate
Molecular Weight	782
Molecular Formula	C40H73NNaO10P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)[O-])N)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]
InChI	InChI=1S/C40H74NO10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h11,13,17-18,36-37H,3-10,12,14-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47);/q;+1/p-1/b13-11-,18-17-;/t36-,37+;/m1./s1
InChI Key	WPLLCKLCLMRAPV-WHVRKWPVSA-M
Purity	99%+
Complexity	997
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	781.48697881
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)[O-])N)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[Na+]
Monoisotopic Mass	781.48697881
Physical State	Liquid
Rotatable Bond Count	40
Storage Conditions	-20 °C
Topological Polar Surface Area	175 Ų

Knowledge & Learning Case Study Q&A

What is the InChIKey of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine sodium?

The InChIKey is WPLLCKLCLMRAPV-WHVRKWPVSA-M.

How many rotatable bonds are there in the molecule?

There are 40 rotatable bonds.

What is the CAS number of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine sodium?

The CAS number is 384833-20-9

How many covalently-bonded units are there in 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine sodium?

There are 2 covalently-bonded units.

How many hydrogen bond acceptors are there in the molecule?

There are 11 hydrogen bond acceptors.

What is the molecular weight of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine sodium?

The molecular weight is 782.0g/mol.

What is the IUPAC name of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine sodium?

The IUPAC name is sodium;(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoate.

What is the Monoisotopic Mass of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine sodium?

The Monoisotopic Mass is 781.48697881.

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