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

Catalog Number	ACM90693882
CAS	90693-88-2
Synonyms	18:1 PS (DOPS)
IUPAC Name	Sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxypropanoate
Molecular Weight	810
Molecular Formula	C42H77NNaO10P
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]
InChI	InChI=1S/C42H78NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49);/q;+1/p-1/b19-17-,20-18-;/t38-,39+;/m1./s1
InChI Key	KPHZNDUWYZIXFY-YORIBCANSA-M
Purity	98%+
Complexity	1010
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	809.51827893
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
Monoisotopic Mass	809.51827893
Physical State	Solid
Rotatable Bond Count	41
Storage Conditions	-20 °C
Topological Polar Surface Area	179 Ų

Knowledge & Learning Case Study Q&A

What is the exact mass of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt?

The exact mass of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt is 787.53633468.

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

The molecular formula of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt is C42H78NO10P.

How many hydrogen bond acceptors does 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt have?

1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt has 11 hydrogen bond acceptors.

What is the Canonical SMILES representation of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt?

The Canonical SMILES of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt is CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC.

How many rotatable bonds does 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt have?

1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt has 42 rotatable bonds.

What is the XLogP3 value of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt?

The XLogP3 value of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt is 10.2.

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

The IUPAC Name of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt is (2S)-2-amino-3-[[(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid.

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

The InChIKey of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt is WTBFLCSPLLEDEM-MDZJKYSESA-N.

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

There is 1 covalently-bonded unit in 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt.

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

The topological polar surface area of 1,2-Dioleoyl-sn-glycero-3-phospho-L-serine sodium salt is 172.

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1,2-Dioleoyl-sn-glycero-3-phospho-L-serine, sodium salt (90693-88-2)

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