chempirical

Fmoc-nh-peg12-ch2ch2cooh

C42H65NO16CAS 756526-01-9839.97 g/mol

Open in Covalent MOL file
OONHOOOOOOOOOOOOOHO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C42H65NO16
Molar mass
839.97 g/mol
Exact mass
839.4303 Da
logP
3.20Crippen estimate
Polar surface area
186.4 Ų
H-bond donors / acceptors
2 / 15
Rotatable bonds
41

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
756526-01-9
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChIKey
JYNHRDJTWNEGJE-UHFFFAOYSA-N
InChI
InChI=1S/C42H65NO16/c44-41(45)9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-43-42(46)59-35-40-38-7-3-1-5-36(38)37-6-2-4-8-39(37)40/h1-8,40H,9-35H2,(H,43,46)(H,44,45)

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Names and synonyms

1 names
  • (Fmoc-amino)-PEG12-C2-Carboxylic Acid

Work with Fmoc-nh-peg12-ch2ch2cooh

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

Fmoc-N-amido-peg24-acid2170484-59-8100 % similar Fmoc-15-amino-4,7,10,13-tetraoxapentadecanoic acid557756-85-1100 % similar Fmoc-12-amino-4,7,10-trioxadodecanoic acid867062-95-1100 % similar Fmoc-9-amino-4,7-dioxanonanoic acid872679-70-4100 % similar Fmoc-N-amido-peg1-acid1654740-73-498 % similar Fmoc-NH-PEG4-CH2COOH437655-95-383 % similar Fmoc-nh-8(ethylene glycol)-acetic acid868594-52-983 % similar Fmoc-B-ala-oh35737-10-180 % similar

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

Same formula

Ammonium glycyrrhizinate1407-03-0 Ammonium glycyrrhizinate53956-04-0

Elsewhere

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