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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

Dppg-Nh4
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 Weight 740.0 g/mol
Molecular Formula C38H78NO10P
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count40
Exact Mass739.53633468 g/mol
Monoisotopic Mass739.53633468 g/mol
Topological Polar Surface Area153 Ų
Heavy Atom Count50
Formal Charge0
Complexity788
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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