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DSPE-PEG 2000

CAT: 0127-BUP20074-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20074-03Size:25 mg
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CAS Number
892144-24-0
Smiles
C(C(O)=O)(F)(F)F.O=C1[C@H](NC(=O)[C@H](CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@](NC(C(C)C)=O)(C)CCCCN1)C2=CC=CC=C2

Chemical Information

Dspe-peg-OH
CAS Number892144-24-0
PubChem CID122632359
IUPAC Name[3-[hydroxy-[2-(2-hydroxyethoxycarbonylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC44H86NO11P
Molecular Weight836.1
XLogP14.7
Topological Polar Surface Area167
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count47
Heavy Atom Count57
Formal Charge0
Complexity971
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)OCCO)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H86NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(47)53-39-41(40-55-57(50,51)54-37-35-45-44(49)52-38-36-46)56-43(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,46H,3-40H2,1-2H3,(H,45,49)(H,50,51)
InChIKey
BPZILUVAHZTEEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dspe-peg-OH
CAS: 892144-24-0
CID: 122632359
Formula: C44H86NO11P
MW: 836.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight836.1
XLogP314.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count47
Exact Mass835.59384956
Monoisotopic Mass835.59384956
Topological Polar Surface Area167 Ų
Heavy Atom Count57
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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