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M-PEG-DSPE, MW 2,000

CAT: 0127-BIPG2668-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BIPG2668-01Size:1 g
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CAS Number
459428-35-4
Purity
≥95%
Smiles
CCCCCCCCCCCCCCCCCC (=O) OCC (COP (=O) ([O-]) OCCNC (=O) OCCOC) OC (=O) CCCCCCCCCCCCCCCCC.[Na+]

Chemical Information

DSPE-MPEG(2000) (sodium salt)
CAS Number459428-35-4
PubChem CID92041430
IUPAC Namesodium 2,3-di(octadecanoyloxy)propyl 2-(2-methoxyethoxycarbonylamino)ethyl phosphate
Molecular FormulaC45H87NNaO11P
Molecular Weight872.1
Topological Polar Surface Area159
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count48
Heavy Atom Count59
Formal Charge0
Complexity994
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C45H88NO11P.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43(47)54-40-42(41-56-58(50,51)55-37-36-46-45(49)53-39-38-52-3)57-44(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h42H,4-41H2,1-3H3,(H,46,49)(H,50,51);/q;+1/p-1
InChIKey
SRLOHQKOADWDBV-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of DSPE-MPEG(2000) (sodium salt)
CAS: 459428-35-4
CID: 92041430
Formula: C45H87NNaO11P
MW: 872.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight872.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count48
Exact Mass871.59144387
Monoisotopic Mass871.59144387
Topological Polar Surface Area159 Ų
Heavy Atom Count59
Formal Charge0
Complexity994
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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