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DSPE-PEG8-Mal

CAT: 0926-MJD73794-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-MJD73794-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2112737-94-5
MDL Number
MFCD30828705
Smiles
C (COCCOCCOCCOCCOCCOCCOCCOCCC (NCCOP (OC[C@H] (OC (CCCCCCCCCCCCCCCCC) =O) COC (CCCCCCCCCCCCCCCCC) =O) (=O) O) =O) N1C (=O) C=CC1=O
Molecular Formula
C64H119N2O19P
Molecular Weight
1,251.6 g/mol
Controlled
No

Chemical Information

DSPE-PEG8-Mal
CAS Number2112737-94-5
PubChem CID129009588
IUPAC Name[(2R)-3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC64H119N2O19P
Molecular Weight1251.6
XLogP13
Topological Polar Surface Area249
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count71
Heavy Atom Count86
Formal Charge0
Complexity1660
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C64H119N2O19P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-63(70)82-57-59(85-64(71)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-84-86(72,73)83-41-38-65-60(67)37-40-74-43-45-76-47-49-78-51-53-80-55-56-81-54-52-79-50-48-77-46-44-75-42-39-66-61(68)35-36-62(66)69/h35-36,59H,3-34,37-58H2,1-2H3,(H,65,67)(H,72,73)/t59-/m1/s1
InChIKey
DWLVJCKBUSIFBB-OBEXFZABSA-N
Chemical Structure
2D Structure
2D structure of DSPE-PEG8-Mal
CAS: 2112737-94-5
CID: 129009588
Formula: C64H119N2O19P
MW: 1251.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1251.6
XLogP313
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count71
Exact Mass1250.81446657
Monoisotopic Mass1250.81446657
Topological Polar Surface Area249 Ų
Heavy Atom Count86
Formal Charge0
Complexity1660
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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