[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;sodium

Synopsis, Chemistry

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[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;sodium

Also known as: 67232-80-8, 1,2-dimyristoyl-rac-glycero-3-phospho-rac-(1-glycerol)(sodiumsalt), [3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;sodium, 1,2-dimyristoyl-sn-glycero-3-phospho-rac-glycerol sodium salt, Dimyristoyl phosphatidylglycerole, Dmpg l-5114

Molecular Formula

C₃₄H₆₇NaO₁₀P

Molecular Weight

689.9 g/mol

InChI Key

UTNMMFYJHJYFKP-UHFFFAOYSA-N

1 2D Structure

[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;sodium

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C34H67O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(37)41-29-32(30-43-45(39,40)42-28-31(36)27-35)44-34(38)26-24-22-20-18-16-14-12-10-8-6-4-2;/h31-32,35-36H,3-30H2,1-2H3,(H,39,40);

2.1.2 InChI Key

UTNMMFYJHJYFKP-UHFFFAOYSA-N

2.1.3 Canonical SMILES

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCCCCC.[Na]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 67232-80-8

2. 1,2-dimyristoyl-rac-glycero-3-phospho-rac-(1-glycerol)(sodiumsalt)

3. [3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] Tetradecanoate;sodium

4. 1,2-dimyristoyl-sn-glycero-3-phospho-rac-glycerol Sodium Salt

5. Dimyristoyl Phosphatidylglycerole

6. Dmpg L-5114

7. Bcp06567

8. 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol Dmpg

9. 1,2-dimyristoyl-rac-glycero-3-phospho-rac-(1-glycerol) Sodium Salt

2.3 Create Date

2007-07-16

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₆₇NaO₁₀P
Molecular Weight	689.9 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	36
Exact Mass	689.43695461 g/mol
Monoisotopic Mass	689.43695461 g/mol
Topological Polar Surface Area	149 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	736
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2