l-alpha-lysophosphatidylinositol (soy, sodium salt)

Catalog Number	ACM796963912
CAS	796963-91-2
Synonyms	Soy Lyso PI
IUPAC Name	Sodium;(3-hexadecanoyloxy-2-hydroxypropyl) (2,3,4,5,6-pentahydroxycyclohexyl) phosphate
Molecular Weight	594.6
Molecular Formula	C25H48NaO12P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)O.[Na+]
InChI	InChI=1S/C25H49O12P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32;/h18,20-26,28-32H,2-17H2,1H3,(H,33,34);/q;+1/p-1
InChI Key	CPTWBHNULFRGAT-UHFFFAOYSA-M
Purity	99%+
Complexity	671
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	594.27810824
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	6
Monoisotopic Mass	594.27810824
Physical State	Powder
Rotatable Bond Count	22
Storage Conditions	-20 °C
Topological Polar Surface Area	206 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of l-alpha-lysophosphatidylinositol (soy, sodium salt)?

The IUPAC name is sodium;[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate.

What is the chemical formula for l-alpha-lysophosphatidylinositol (soy, sodium salt)?

The chemical formula is C25H48NaO12P.

What is the molecular weight of l-alpha-lysophosphatidylinositol (soy, sodium salt)?

The molecular weight is 594.6g/mol.

How many hydrogen bond acceptors are present in l-alpha-lysophosphatidylinositol (soy, sodium salt)?

There are 12 hydrogen bond acceptors.

What is the exact mass of l-alpha-lysophosphatidylinositol (soy, sodium salt)?

The exact mass is 594.27810824.

What is the CAS number for l-alpha-lysophosphatidylinositol (soy, sodium salt)?

The CAS number is 796963-91-2.

How many heavy atoms are present in the structure of l-alpha-lysophosphatidylinositol (soy, sodium salt)?

There are 39 heavy atoms.

How many rotatable bonds are present in l-alpha-lysophosphatidylinositol (soy, sodium salt)?

There are 22 rotatable bonds.

What is the InChI code for l-alpha-lysophosphatidylinositol (soy, sodium salt)?

The InChI code is InChI=1S/C25H49O12P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32;/h18,20-26,28-32H,2-17H2,1H3,(H,33,34);/q;+1/p-1/t18-,20?,21-,22+,23-,24-,25?;/m1./s1

Does l-alpha-lysophosphatidylinositol (soy, sodium salt) contain any isotope atoms?

No, there are no isotope atoms present in l-alpha-lysophosphatidylinositol (soy, sodium salt).

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