1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)

Catalog Number	ACM321863212-1
CAS	321863-21-2
Structure
Synonyms	16:0-18:1 PS (POPS)
IUPAC Name	Sodium;(2S)-2-azaniumyl-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate
Molecular Weight	784
Molecular Formula	C40H75NNaO10P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]
InChI	InChI=1S/C40H76NO10P.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;/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47);/q;+1/p-1/b18-17-;/t36-,37+;/m1./s1
InChI Key	RQYKXRYGZHMUSU-JEAFVVATSA-M
Purity	99%+
Complexity	934
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	783.50262887
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
Monoisotopic Mass	783.50262887
Physical State	Powder
Rotatable Bond Count	40
Storage Conditions	-20 °C
Topological Polar Surface Area	179 Ų

Knowledge & Learning Case Study Q&A

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

The IUPAC name of 1-Palmitoyl-2-oleoyl-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-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

The molecular formula of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt) is C40H75NNaO10P.

What is the exact mass of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

The exact mass of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt) is 783.50262887 g/mol.

How many heavy atoms are present in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

There are 53 heavy atoms present in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt).

What is the canonical SMILES representation of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

The canonical SMILES representation of 1-Palmitoyl-2-oleoyl-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+]

How many hydrogen bond acceptor counts are there in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

There are 11 hydrogen bond acceptor counts in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt).

What is the computed properties complexity of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

The computed properties complexity of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt) is 955.

What are the isomeric SMILES of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

The isomeric SMILES of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt) is CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)[O-])N)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]

How many rotatable bond counts are there in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

There are 41 rotatable bond counts in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt).

What is the InChI key of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt)?

The InChI key of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt) is RQYKXRYGZHMUSU-JEAFVVATSA-M.

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1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (sodium salt) (321863-21-2)

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