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Chemistry

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Also known as:
Molecular Formula
C41H79NNaO11P
Molecular Weight
816.0  g/mol
InChI Key
GQLICYUTMNXIAA-XVYLPRMCSA-M

Mpeg5000 dppe
1 2D Structure

Mpeg5000 dppe

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;[(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(2-methoxyethoxycarbonylamino)ethyl phosphate
2.1.2 InChI
InChI=1S/C41H80NO11P.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(43)50-36-38(37-52-54(46,47)51-33-32-42-41(45)49-35-34-48-3)53-40(44)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h38H,4-37H2,1-3H3,(H,42,45)(H,46,47);/q;+1/p-1/t38-;/m1./s1
2.1.3 InChI Key
GQLICYUTMNXIAA-XVYLPRMCSA-M
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCC.[Na+]
2.1.5 Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCC.[Na+]
2.2 Create Date
2014-11-22
3 Chemical and Physical Properties
Molecular Weight 816.0 g/mol
Molecular Formula C41H79NNaO11P
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count44
Exact Mass815.52884362 g/mol
Monoisotopic Mass815.52884362 g/mol
Topological Polar Surface Area159 Ų
Heavy Atom Count55
Formal Charge0
Complexity931
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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