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DSPE-PEG-Mal

CAT: 0127-OR1025270-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1025270-02Size:250 mg
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CAS Number
1190924-04-9
Synonyms
[ (2R) -3-[2-[3-[2-[2-[3- (2,5-dioxopyrrol-1-yl) propanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Purity
Average M.W. 2000
Smiles
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC

Chemical Information

DSPE-PEG2-mal
CAS Number1190924-04-9
PubChem CID156597073
IUPAC Name[(2R)-3-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC55H100N3O14P
Molecular Weight1058.4
XLogP13.1
Topological Polar Surface Area222
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count56
Heavy Atom Count73
Formal Charge0
Complexity1500
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C55H100N3O14P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-54(63)69-47-49(72-55(64)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48-71-73(65,66)70-44-40-57-51(60)38-42-67-45-46-68-43-39-56-50(59)37-41-58-52(61)35-36-53(58)62/h35-36,49H,3-34,37-48H2,1-2H3,(H,56,59)(H,57,60)(H,65,66)/t49-/m1/s1
InChIKey
PFHIBVKYIUDMIC-ANFMRNGASA-N
Chemical Structure
2D Structure
2D structure of DSPE-PEG2-mal
CAS: 1190924-04-9
CID: 156597073
Formula: C55H100N3O14P
MW: 1058.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1058.4
XLogP313.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count56
Exact Mass1057.69429187
Monoisotopic Mass1057.69429187
Topological Polar Surface Area222 Ų
Heavy Atom Count73
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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