1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt)

Catalog Number	ACM474943196
CAS	474943-19-6
Synonyms	22:6 PS
IUPAC Name	Sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy]propoxy]-oxidophosphoryl]oxypropanoate
Molecular Weight	902.1
Molecular Formula	C50H73NNaO10P
Canonical SMILES	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC.[Na+]
InChI	InChI=1S/C50H74NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h5-8,11-14,17-20,23-26,29-32,35-38,46-47H,3-4,9-10,15-16,21-22,27-28,33-34,39-45,51H2,1-2H3,(H,54,55)(H,56,57);/q;+1/p-1/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-;/t46-,47+;/m1./s1
InChI Key	PRXSBBKPUZKCDC-CHKVJERNSA-M
Purity	99%+
Complexity	1580
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	901.48697881
Heavy Atom Count	63
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.[Na+]
Monoisotopic Mass	901.48697881
Physical State	Liquid
Rotatable Bond Count	39
Storage Conditions	-20 °C
Topological Polar Surface Area	179 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number for 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

The CAS number for 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt) is 474943-19-6.

How many covalently-bonded units are in 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

There are 2 covalently-bonded units in 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt).

How many defined atom stereocenters are present in 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

There are 2 defined atom stereocenters in 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt).

What is the heavy atom count of 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

The heavy atom count of 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt) is 63.

How many rotatable bonds are present in 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

There are 39 rotatable bonds in 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt).

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

The topological polar surface area of 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt) is 179.

How many hydrogen bond acceptors are in 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

There are 10 hydrogen bond acceptors in 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt).

What is the formal charge of 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

The formal charge of 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt) is 0.

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

The molecular weight of 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt) is 902.1 g/mol.

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

The IUPAC name of 1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt) is sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docos-4,7,10,13,16,19-hexaenoyl]oxy]propoxy]-oxidophosphoryl]oxypropanoate.

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1,2-Didocosahexaenoyl-sn-glycero-3-phospho-L-serine (sodium salt) (474943-19-6)

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