chempirical

Fmoc-N-amido-peg24-acid

C66H113NO28CAS 2170484-59-81368.61 g/mol

Open in Covalent MOL file
OONHOOOOOOOOOOOOOOOOOOOOOOOOOHO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C66H113NO28
Molar mass
1368.61 g/mol
Exact mass
1367.7449 Da
logP
3.40Crippen estimate
Polar surface area
297.1 Ų
H-bond donors / acceptors
2 / 27
Rotatable bonds
77

Identifiers

CAS number
2170484-59-8
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChIKey
NFOMZHGRFWXDGH-UHFFFAOYSA-N
InChI
InChI=1S/C66H113NO28/c68-65(69)9-11-71-13-15-73-17-19-75-21-23-77-25-27-79-29-31-81-33-35-83-37-39-85-41-43-87-45-47-89-49-51-91-53-55-93-57-58-94-56-54-92-52-50-90-48-46-88-44-42-86-40-38-84-36-34-82-32-30-80-28-26-78-24-22-76-20-18-74-16-14-72-12-10-67-66(70)95-59-64-62-7-3-1-5-60(62)61-6-2-4-8-63(61)64/h1-8,64H,9-59H2,(H,67,70)(H,68,69)

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

Work with Fmoc-N-amido-peg24-acid

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-peg1-acid1654740-73-498 % similar 5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid260367-12-279 % similar Fmoc-gamma-abu-oh116821-47-775 % similar Fmoc-5-aminopentanoic acid123622-48-073 % similar N-Fmoc-8-aminooctanoic acid126631-93-472 % similar Fmoc-7-amino-heptanoic acid127582-76-772 % similar 1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20,23,26-octaoxa-2-azanonacosanedioate756526-02-065 % similar 1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20-hexaoxa-2-azatricosanedioate882847-34-965 % similar

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

Elsewhere

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