Dppg-Nh4

Synopsis, Chemistry

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Also known as: 1373168-73-0, Dppg-nh4, Dtxsid30746681, Bp-26315, 1,2-dipalmitoyl-sn-glycero-3-phosphoglycerol, ammonium salt, 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol) - ammonium salt

Molecular Formula

C₃₈H₇₈NO₁₀P

Molecular Weight

740.0 g/mol

InChI Key

KSVUSCAQEBSOIJ-ODZMYOIVSA-N

1 2D Structure

Dppg-Nh4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azanium;[(2R)-2,3-di(hexadecanoyloxy)propyl] 2,3-dihydroxypropyl phosphate

2.1.2 InChI

InChI=1S/C38H75O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36,39-40H,3-34H2,1-2H3,(H,43,44);1H3/t35?,36-;/m1./s1

2.1.3 InChI Key

KSVUSCAQEBSOIJ-ODZMYOIVSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC.[NH4+]

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC.[NH4+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1373168-73-0

2. Dppg-nh4

3. Dtxsid30746681

4. Bp-26315

5. 1,2-dipalmitoyl-sn-glycero-3-phosphoglycerol, Ammonium Salt

6. 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol) - Ammonium Salt

7. 1,2-dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) Ammonium Salt, >=96.0% (tlc)

2.3 Create Date

2013-05-17

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₇₈NO₁₀P
Molecular Weight	740.0 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	40
Exact Mass	739.53633468 g/mol
Monoisotopic Mass	739.53633468 g/mol
Topological Polar Surface Area	153 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	788
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2