CAS 322647-11-0 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine (monosodium salt)

What is the molecular weight of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine (monosodium salt)?

The molecular weight is 810.0g/mol.

How many heavy atoms are present in the structure of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine?

There are 55 heavy atoms present.

What is the Canonical SMILES representation of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine?

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]

How many rotatable bonds are present in 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine?

There are 41 rotatable bonds present.

What is the InChIKey of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine?

The InChIKey is AHMHWPOYIVVEKN-DKGLWQNBSA-M.

What is the IUPAC Name of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine (monosodium salt)?

The IUPAC Name is sodium;2-azaniumyl-3-[[2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropoxy]-oxidophosphoryl]oxypropanoate

How many hydrogen bond acceptors are present in the structure of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine?

There are 10 hydrogen bond acceptors present.

What is the Formal Charge of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine?

The Formal Charge is 0.

How many defined bond stereocenters are present in the structure of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine?

There are 2 defined bond stereocenters present.

What are some other synonyms of 1-Steraoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine (monosodium salt)?

Some other synonyms include 1-Steroayl-2-linoleoyl-sn-glycero-3-phospho-L-serine and 1-Steroayl-2-linoleoyl-sn-glycero-3-phospho-L-serine (monosodium salt).

Catalog Number	ACM322647110-1
CAS	322647-11-0
Structure
Synonyms	18:0-18:2 PS
IUPAC Name	Sodium;(2S)-2-azaniumyl-3-[[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropoxy]-oxidophosphoryl]oxypropanoate
Molecular Weight	810
Molecular Formula	C42H77NNaO10P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCC=CCCCCC.[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;/h12,14,18,20,38-39H,3-11,13,15-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49);/q;+1/p-1/b14-12-,20-18-;/t38-,39+;/m1./s1
InChI Key	AHMHWPOYIVVEKN-PTDXFASBSA-M
Purity	97%+
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	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[Na+]
Monoisotopic Mass	809.51827893
Physical State	Powder
Rotatable Bond Count	41
Storage Conditions	-20 °C
Topological Polar Surface Area	179 Å²