chempirical

Dspe-peg 2000 amine

C46H91N2O11PCAS 474922-26-4879.21 g/mol

Open in Covalent MOL file
OOOPOOHONHOOOH2NOO
EsterEtherPhosphatePrimary amine

Properties

Molecular formula
C46H91N2O11P
Molar mass
879.21 g/mol
Exact mass
878.6360 Da
logP
12.00Crippen estimate
Polar surface area
185.4 Ų
H-bond donors / acceptors
3 / 11
Rotatable bonds
47

Identifiers

CAS number
474922-26-4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN=C(O)OCCOCCN)OC(=O)CCCCCCCCCCCCCCCCC
InChIKey
BBJPYLDHKQBAQS-UHFFFAOYSA-N
InChI
InChI=1S/C46H91N2O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(49)56-41-43(42-58-60(52,53)57-38-36-48-46(51)55-40-39-54-37-35-47)59-45(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42,47H2,1-2H3,(H,48,51)(H,52,53)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Poly(oxy-1,2-ethanediyl), α-[(9R)-6-hydroxy-6-oxido-1,12-dioxo-9-[(1-oxooctadecyl)oxy]-5,7,11-trioxa-2-aza-6-phosphanonacos-1-yl]-ω-(2-aminoethoxy)-, ammonium salt (1:1)
  • Poly(oxy-1,2-ethanediyl), α-[(9R)-6-hydroxy-6-oxido-1,12-dioxo-9-[(1-oxooctadecyl)oxy]-5,7,11-trioxa-2-aza-6-phosphanonacos-1-yl]-ω-(2-aminoethoxy)-, ammonium salt
  • DSPE-PEG 2000NH2 ammonium salt
  • DSPE-PEG Amine
  • DSPE-PEG-NH2
  • 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polyethylene glycol)-2000] ammonium salt
  • DSPE-PEG2000-NH2

Work with Dspe-peg 2000 amine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Poly(oxy-1,2-ethanediyl), α-[(9R)-6-hydroxy-6-oxido-1,12-dioxo-9-[(1-oxooctadecyl)oxy]-5,7,11-trioxa-2-aza-6-phosphanonacos-1-yl]-ω-(carboxymethoxy)-, ammonium salt (1:1)474922-20-881 % similar Poly(oxy-1,2-ethanediyl), α-[6-hydroxy-6-oxido-1,12-dioxo-9-[(1-oxooctadecyl)oxy]-5,7,11-trioxa-2-aza-6-phosphanonacos-1-yl]-ω-methoxy-147867-65-079 % similar 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine1069-79-073 % similar Dipalmitoylphosphatidylethanolamine923-61-573 % similar Dimyristoylphosphatidylethanolamine998-07-273 % similar 1,2-Dioleoyl-sn-glycerophosphoethanolamine4004-05-168 % similar Axona538-23-845 % similar Trilaurin538-24-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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