endo-Bcn-peg3-acid

C₂₀H₃₁NO₇CAS 1807501-82-1397.47 g/mol

Open in Covalent MOL file

Alkyne Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₀H₃₁NO₇
Molar mass: 397.47 g/mol
Exact mass: 397.2101 Da
logP: 1.68Crippen estimate
Polar surface area: 103.3 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 14

Identifiers

CAS number

1807501-82-1

SMILES

C1CC2C(C2COC(=O)NCCOCCOCCOCCC(=O)O)CCC#C1

InChIKey

NRDCHHRLBMBFHZ-UHFFFAOYSA-N

InChI

InChI=1S/C20H31NO7/c22-19(23)7-9-25-11-13-27-14-12-26-10-8-21-20(24)28-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15H2,(H,21,24)(H,22,23)

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Work with endo-Bcn-peg3-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

endo-Bcn-peg8-nhs ester1608140-48-264 % similar Fmoc-N-amido-peg24-acid2170484-59-855 % similar Fmoc-N-amido-peg1-acid1654740-73-453 % similar T-Boc-N-amido-peg1-acid1260092-44-150 % similar 3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-108466-89-341 % similar 5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid260367-12-241 % similar 27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid756526-04-238 % similar Fmoc-gamma-abu-oh116821-47-737 % similar

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

Elsewhere

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