Fmoc-thr(tbu)-ol

C₂₃H₂₉NO₄CAS 189337-28-8383.49 g/mol

Open in Covalent MOL file

Alcohol Carbamate Ether

Properties

Molecular formula: C₂₃H₂₉NO₄
Molar mass: 383.49 g/mol
Exact mass: 383.2097 Da
logP: 4.09Crippen estimate
Polar surface area: 67.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

189337-28-8

SMILES

C[C@H]([C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C

InChIKey

LBVPBNDGSCZOTB-QVKFZJNVSA-N

InChI

InChI=1S/C23H29NO4/c1-15(28-23(2,3)4)21(13-25)24-22(26)27-14-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,15,20-21,25H,13-14H2,1-4H3,(H,24,26)/t15-,21-/m1/s1

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Names and synonyms

1 names

(9H-Fluoren-9-yl)methyl ((2R,3R)-3-tert-butoxy-1-hydroxybutan-2-yl)carbamate

Work with Fmoc-thr(tbu)-ol

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-O-tert-butyl-D-threonine138797-71-470 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-470 % similar Fmoc-allo-thr(tbu)-oh201481-37-070 % similar N-Fmoc-L-threonol176380-53-368 % similar Nalpha-fmoc-L-serine tert-butyl ester110797-35-863 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-156 % similar Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-656 % similar Fmoc-phenylalaninol129397-83-755 % similar

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

Same formula

(αR,γS)-γ-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-methyl[1,1′-biphenyl]-4-pentanoic acid1012341-50-2

Elsewhere

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