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MPEG-2000-DOPE

CAT: 1118-LP-R4-574-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1118-LP-R4-574-02Size:100 mg
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CAS Number
474922-90-2
Purity
≥95% (HPLC)
Molecular Weight
2801.47
Related Products
ALC-0159, DSPE-PEG2k-CA, DSPE-PEG2k-maleimide, mPEG-2000-DMPE, Na, mPEG-5000-DMPE, Na, mPEG-1000-DOPE, mPEG-5000-DOPE, mPEG-2000-DPPE, Na, mPEG-5000-DPPE, Na, mPEG-750-DSPE, Na, mPEG-2000-DSPE, Na, mPEG-5000-DSPE, Na, mPEG-1000-SOPE
Grade
R&D

Chemical Information

CID 168006136
CAS Number474922-90-2
PubChem CID168006136
IUPAC Nameazane;[3-[hydroxy-[2-(2-methoxyethoxycarbonylamino)ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
Molecular FormulaC45H87N2O11P
Molecular Weight863.2
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count46
Heavy Atom Count59
Formal Charge0
Complexity1070
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)OCCOC)OC(=O)CCCCCCC/C=C/CCCCCCCC.N
InChI
InChI=1S/C45H84NO11P.H3N/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;/h18-21,42H,4-17,22-41H2,1-3H3,(H,46,49)(H,50,51);1H3/b20-18+,21-19+;
InChIKey
NKIHUOSRRGQTKM-RRCQUFFISA-N
Chemical Structure
2D Structure
2D structure of CID 168006136
CAS: 474922-90-2
CID: 168006136
Formula: C45H87N2O11P
MW: 863.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight863.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count46
Exact Mass862.60474859
Monoisotopic Mass862.60474859
Topological Polar Surface Area157 Ų
Heavy Atom Count59
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes