21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic acid

C₂₀H₃₉NO₁₀CAS 882847-13-4453.53 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₀H₃₉NO₁₀
Molar mass: 453.53 g/mol
Exact mass: 453.2574 Da
logP: 1.09Crippen estimate
Polar surface area: 131.0 Å²
H-bond donors / acceptors: 2 / 9
Rotatable bonds: 21

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

882847-13-4

SMILES

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O

InChIKey

FTTYOIHYERRXQB-UHFFFAOYSA-N

InChI

InChI=1S/C20H39NO10/c1-20(2,3)31-19(24)21-5-7-26-9-11-28-13-15-30-17-16-29-14-12-27-10-8-25-6-4-18(22)23/h4-17H2,1-3H3,(H,21,24)(H,22,23)

Weigh it out

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Names and synonyms

1 names

Boc-21-amino-4,7,10,13,16,19-hexaoxaheneicosanoic acid

Work with 21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic 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

T-Boc-N-amido-peg1-acid1260092-44-197 % similar 3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-108466-89-379 % similar 4-(((tert-Butoxy)carbonyl)amino)butanoic acid57294-38-969 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-268 % similar tert-Butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate1404111-67-668 % similar Boc-5-aminopentanoic acid27219-07-468 % similar N-Boc-peg6-alcohol331242-61-668 % similar Boc-11-aminoundecanoic acid10436-25-666 % similar

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

Elsewhere

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