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MPEG-DSPE sodium

CAT: 1410-M36566-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M36566-07Size:500 mg
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Description
MPEG-DSPE sodium (DSPE-mPEG2000 sodium) is a PROTAC linker belonging to PEG and is involved in the synthesis of PROTAC molecules.
CAS Number
247925-28-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
2808.74
Molecular Formula
C45H87NNaO11P
Notes
Research use only, not for human use.
Receptor
PROTACs

Chemical Information

CID 163358770
CAS Number247925-28-6
PubChem CID163358770
Molecular FormulaC45H88NNaO11P
Molecular Weight873.1
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count48
Heavy Atom Count59
Formal Charge0
Complexity986
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);
InChIKey
OZAXVNORLZLEOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 163358770
CAS: 247925-28-6
CID: 163358770
Formula: C45H88NNaO11P
MW: 873.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight873.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count48
Exact Mass872.59926890
Monoisotopic Mass872.59926890
Topological Polar Surface Area156 Ų
Heavy Atom Count59
Formal Charge0
Complexity986
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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